N,N-dimethylpropan-2-amine;2-methylbutane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine

C51H112N8O — CID 158700505

IUPACN,N-dimethylpropan-2-amine;2-methylbutane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
SMILESCC(=O)N1CCN(C(C)C)CC1.CC(C)N(C)C.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCCC1.CC(C)N1CCN(C)CC1.CCC(C)C
InChIInChI=1S/C9H18N2O.C9H19N.C8H18N2.C8H17N.C7H15N.C5H13N.C5H12/c1-8(2)10-4-6-11(7-5-10)9(3)12;1-9(2)10-7-5-3-4-6-8-10;1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-5(2)6(3)4;1-4-5(2)3/h8H,4-7H2,1-3H3;9H,3-8H2,1-2H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;5H,1-4H3;5H,4H2,1-3H3
InChIKeyIHMGFZRDMIZMAV-UHFFFAOYSA-N
MW853.51 g/mol
LogP9.85
Rot. Bonds7

About N,N-dimethylpropan-2-amine;2-methylbutane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine

N,N-dimethylpropan-2-amine;2-methylbutane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine (PubChem CID 158700505) has the molecular formula C51H112N8O and a molecular weight of 853.51 g/mol. Its IUPAC name is N,N-dimethylpropan-2-amine;2-methylbutane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine.

Molecular Properties

Compound NameN,N-dimethylpropan-2-amine;2-methylbutane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
PubChem CID158700505
Molecular FormulaC51H112N8O
Molecular Weight853.51 g/mol
Exact Mass852.90
IUPAC NameN,N-dimethylpropan-2-amine;2-methylbutane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
SMILESCC(=O)N1CCN(C(C)C)CC1.CC(C)N(C)C.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCCC1.CC(C)N1CCN(C)CC1.CCC(C)C
InChIInChI=1S/C9H18N2O.C9H19N.C8H18N2.C8H17N.C7H15N.C5H13N.C5H12/c1-8(2)10-4-6-11(7-5-10)9(3)12;1-9(2)10-7-5-3-4-6-8-10;1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-5(2)6(3)4;1-4-5(2)3/h8H,4-7H2,1-3H3;9H,3-8H2,1-2H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;5H,1-4H3;5H,4H2,1-3H3
InChIKeyIHMGFZRDMIZMAV-UHFFFAOYSA-N
XLogP9.85
TPSA42.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.51
LogP ≤ 59.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N,N-dimethylpropan-2-amine;2-methylbutane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylpropan-2-amine;2-methylbutane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The IUPAC name of N,N-dimethylpropan-2-amine;2-methylbutane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine (CID 158700505) is N,N-dimethylpropan-2-amine;2-methylbutane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine.
What is the SMILES notation for N,N-dimethylpropan-2-amine;2-methylbutane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The canonical SMILES for N,N-dimethylpropan-2-amine;2-methylbutane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine is CC(=O)N1CCN(C(C)C)CC1.CC(C)N(C)C.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCCC1.CC(C)N1CCN(C)CC1.CCC(C)C.
What is the InChIKey of N,N-dimethylpropan-2-amine;2-methylbutane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The InChIKey is IHMGFZRDMIZMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C9H19N.C8H18N2.C8H17N.C7H15N.C5H13N.C5H12/c1-8(2)10-4-6-11(7-5-10)9(3)12;1-9(2)10-7-5-3-4-6-8-10;1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-5(2)6(3)4;1-4-5(2)3/h8H,4-7H2,1-3H3;9H,3-8H2,1-2H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;5H,1-4H3;5H,4H2,1-3H3.
What are the key properties of N,N-dimethylpropan-2-amine;2-methylbutane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
N,N-dimethylpropan-2-amine;2-methylbutane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine has a molecular weight of 853.51 g/mol, XLogP of 9.85, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylpropan-2-amine;2-methylbutane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine is sourced from PubChem (CID 158700505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).