2-N-[3-(dimethylamino)propyl]-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine

C16H35N3 — CID 63694683

IUPAC2-N-[3-(dimethylamino)propyl]-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine
SMILESCNC1CCC(C(C)C)CC1N(C)CCCN(C)C
InChIInChI=1S/C16H35N3/c1-13(2)14-8-9-15(17-3)16(12-14)19(6)11-7-10-18(4)5/h13-17H,7-12H2,1-6H3
InChIKeySYSAMWXMEUXHGW-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.28
Rot. Bonds7

About 2-N-[3-(dimethylamino)propyl]-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine

2-N-[3-(dimethylamino)propyl]-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine (PubChem CID 63694683) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 2-N-[3-(dimethylamino)propyl]-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-[3-(dimethylamino)propyl]-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine
PubChem CID63694683
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name2-N-[3-(dimethylamino)propyl]-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine
SMILESCNC1CCC(C(C)C)CC1N(C)CCCN(C)C
InChIInChI=1S/C16H35N3/c1-13(2)14-8-9-15(17-3)16(12-14)19(6)11-7-10-18(4)5/h13-17H,7-12H2,1-6H3
InChIKeySYSAMWXMEUXHGW-UHFFFAOYSA-N
XLogP2.28
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[2-(dimethylamino)ethyl]-1-N-methyl-2-N-(2-methylpropyl)-4-propan-2-ylcyclohexane-1,2-diamine
CID 62708407
N,N,N'-trimethyl-N'-[[2-(methylamino)-5-propan-2-ylcyclohexyl]methyl]propane-1,3-diamine
CID 63698976
2-N-(cyclohexylmethyl)-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 63469233
2-N-cyclopentyl-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 62703317
1-N,2-N-dimethyl-2-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexane-1,2-diamine
CID 55106006
1-N,2-N-dimethyl-4-propan-2-yl-2-N-(pyridin-4-ylmethyl)cyclohexane-1,2-diamine
CID 62701626
2-N-[(2-fluorophenyl)methyl]-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 62708399
2-[(dimethylamino)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 62708303
2-N-(2-methoxyethyl)-1-N-methyl-2-N,4-di(propan-2-yl)cyclohexane-1,2-diamine
CID 82948997
1-N-ethyl-2-N-methyl-4-propan-2-yl-2-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,2-diamine
CID 63206785
2-[[cyclohexyl(methyl)amino]methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63483970
4-tert-butyl-1-N,2-N-dimethyl-2-N-pentylcyclohexane-1,2-diamine
CID 63467911

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(dimethylamino)propyl]-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-[3-(dimethylamino)propyl]-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine (CID 63694683) is 2-N-[3-(dimethylamino)propyl]-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-[3-(dimethylamino)propyl]-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-[3-(dimethylamino)propyl]-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine is CNC1CCC(C(C)C)CC1N(C)CCCN(C)C.
What is the InChIKey of 2-N-[3-(dimethylamino)propyl]-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine?
The InChIKey is SYSAMWXMEUXHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-13(2)14-8-9-15(17-3)16(12-14)19(6)11-7-10-18(4)5/h13-17H,7-12H2,1-6H3.
What are the key properties of 2-N-[3-(dimethylamino)propyl]-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine?
2-N-[3-(dimethylamino)propyl]-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine has a molecular weight of 269.48 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(dimethylamino)propyl]-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine is sourced from PubChem (CID 63694683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).