N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;4-(2-methylpropyl)oxane;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpyrrolidin-2-one

C124H260N16O13 — CID 160893013

About N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;4-(2-methylpropyl)oxane;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpyrrolidin-2-one

N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;4-(2-methylpropyl)oxane;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpyrrolidin-2-one (PubChem CID 160893013) has the molecular formula C124H260N16O13 and a molecular weight of 2183.54 g/mol. Its IUPAC name is N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;4-(2-methylpropyl)oxane;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

• Compound Name: N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;4-(2-methylpropyl)oxane;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpyrrolidin-2-one
• PubChem CID: 160893013
• Molecular Formula: C124H260N16O13
• Molecular Weight: 2183.54 g/mol
• Exact Mass: 2182.02
• IUPAC Name: N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;4-(2-methylpropyl)oxane;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpyrrolidin-2-one
• SMILES: C1CNCOC1.CC(C)C(=O)N1CCN(C)CC1.CC(C)CC1CCOCC1.CC(C)CCC1CCOCC1.CC(C)N(C)C1CCCCC1.CC(C)N(C)C1CCN(C)CC1.CC(C)N(C)CC1CCOCC1.CC(C)N1CCCC1=O.CC(C)N1CCNC(=O)C1.CC(C)N1CCNCC1.CC(C)NCCN(C)C.CC(C)OC1CCCN(C)C1.CC(C)OC1CCCOC1.CC(C)OC1CCN(C)CC1.CC(C)OC1CCOCC1
• InChI: InChI=1S/C10H22N2.C10H21NO.C10H21N.C10H20O.C9H18N2O.2C9H19NO.C9H18O.2C8H16O2.C7H14N2O.C7H16N2.C7H18N2.C7H13NO.C4H9NO/c1-9(2)12(4)10-5-7-11(3)8-6-10;1-9(2)11(3)8-10-4-6-12-7-5-10;1-9(2)11(3)10-7-5-4-6-8-10;1-9(2)3-4-10-5-7-11-8-6-10;1-8(2)9(12)11-6-4-10(3)5-7-11;1-8(2)11-9-4-6-10(3)7-5-9;1-8(2)11-9-5-4-6-10(3)7-9;1-8(2)7-9-3-5-10-6-4-9;1-7(2)10-8-3-5-9-6-4-8;1-7(2)10-8-4-3-5-9-6-8;1-6(2)9-4-3-8-7(10)5-9;1-7(2)9-5-3-8-4-6-9;1-7(2)8-5-6-9(3)4;1-6(2)8-5-3-4-7(8)9;1-2-5-4-6-3-1/h9-10H,5-8H2,1-4H3;9-10H,4-8H2,1-3H3;9-10H,4-8H2,1-3H3;9-10H,3-8H2,1-2H3;8H,4-7H2,1-3H3;2*8-9H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;2*7-8H,3-6H2,1-2H3;6H,3-5H2,1-2H3,(H,8,10);7-8H,3-6H2,1-2H3;7-8H,5-6H2,1-4H3;6H,3-5H2,1-2H3;5H,1-4H2
• InChIKey: SONCNFAMLYZGRD-UHFFFAOYSA-N
• XLogP: 19.39
• TPSA: 230.51 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 28
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2183.54
LogP ≤ 5	19.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;4-(2-methylpropyl)oxane;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpyrrolidin-2-one?

The IUPAC name of N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;4-(2-methylpropyl)oxane;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpyrrolidin-2-one (CID 160893013) is N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;4-(2-methylpropyl)oxane;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpyrrolidin-2-one.

What is the SMILES notation for N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;4-(2-methylpropyl)oxane;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpyrrolidin-2-one?

The canonical SMILES for N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;4-(2-methylpropyl)oxane;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpyrrolidin-2-one is C1CNCOC1.CC(C)C(=O)N1CCN(C)CC1.CC(C)CC1CCOCC1.CC(C)CCC1CCOCC1.CC(C)N(C)C1CCCCC1.CC(C)N(C)C1CCN(C)CC1.CC(C)N(C)CC1CCOCC1.CC(C)N1CCCC1=O.CC(C)N1CCNC(=O)C1.CC(C)N1CCNCC1.CC(C)NCCN(C)C.CC(C)OC1CCCN(C)C1.CC(C)OC1CCCOC1.CC(C)OC1CCN(C)CC1.CC(C)OC1CCOCC1.

What is the InChIKey of N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;4-(2-methylpropyl)oxane;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpyrrolidin-2-one?

The InChIKey is SONCNFAMLYZGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2.C10H21NO.C10H21N.C10H20O.C9H18N2O.2C9H19NO.C9H18O.2C8H16O2.C7H14N2O.C7H16N2.C7H18N2.C7H13NO.C4H9NO/c1-9(2)12(4)10-5-7-11(3)8-6-10;1-9(2)11(3)8-10-4-6-12-7-5-10;1-9(2)11(3)10-7-5-4-6-8-10;1-9(2)3-4-10-5-7-11-8-6-10;1-8(2)9(12)11-6-4-10(3)5-7-11;1-8(2)11-9-4-6-10(3)7-5-9;1-8(2)11-9-5-4-6-10(3)7-9;1-8(2)7-9-3-5-10-6-4-9;1-7(2)10-8-3-5-9-6-4-8;1-7(2)10-8-4-3-5-9-6-8;1-6(2)9-4-3-8-7(10)5-9;1-7(2)9-5-3-8-4-6-9;1-7(2)8-5-6-9(3)4;1-6(2)8-5-3-4-7(8)9;1-2-5-4-6-3-1/h9-10H,5-8H2,1-4H3;9-10H,4-8H2,1-3H3;9-10H,4-8H2,1-3H3;9-10H,3-8H2,1-2H3;8H,4-7H2,1-3H3;2*8-9H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;2*7-8H,3-6H2,1-2H3;6H,3-5H2,1-2H3,(H,8,10);7-8H,3-6H2,1-2H3;7-8H,5-6H2,1-4H3;6H,3-5H2,1-2H3;5H,1-4H2.

What are the key properties of N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;4-(2-methylpropyl)oxane;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpyrrolidin-2-one?

N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;4-(2-methylpropyl)oxane;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpyrrolidin-2-one has a molecular weight of 2183.54 g/mol, XLogP of 19.39, 28 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;4-(2-methylpropyl)oxane;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 160893013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).