2-N-methyl-2-N-(1-methylpiperidin-3-yl)-4-propan-2-ylcyclohexane-1,2-diamine

C16H33N3 — CID 62708595

IUPAC2-N-methyl-2-N-(1-methylpiperidin-3-yl)-4-propan-2-ylcyclohexane-1,2-diamine
SMILESCC(C)C1CCC(N)C(N(C)C2CCCN(C)C2)C1
InChIInChI=1S/C16H33N3/c1-12(2)13-7-8-15(17)16(10-13)19(4)14-6-5-9-18(3)11-14/h12-16H,5-11,17H2,1-4H3
InChIKeyWTMPYHMLHRBUTP-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.16
Rot. Bonds3

About 2-N-methyl-2-N-(1-methylpiperidin-3-yl)-4-propan-2-ylcyclohexane-1,2-diamine

2-N-methyl-2-N-(1-methylpiperidin-3-yl)-4-propan-2-ylcyclohexane-1,2-diamine (PubChem CID 62708595) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-N-methyl-2-N-(1-methylpiperidin-3-yl)-4-propan-2-ylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(1-methylpiperidin-3-yl)-4-propan-2-ylcyclohexane-1,2-diamine
PubChem CID62708595
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name2-N-methyl-2-N-(1-methylpiperidin-3-yl)-4-propan-2-ylcyclohexane-1,2-diamine
SMILESCC(C)C1CCC(N)C(N(C)C2CCCN(C)C2)C1
InChIInChI=1S/C16H33N3/c1-12(2)13-7-8-15(17)16(10-13)19(4)14-6-5-9-18(3)11-14/h12-16H,5-11,17H2,1-4H3
InChIKeyWTMPYHMLHRBUTP-UHFFFAOYSA-N
XLogP2.16
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-cycloheptyl-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 63469021
4-tert-butyl-2-N-methyl-2-N-(1-methylpiperidin-3-yl)cyclohexane-1,2-diamine
CID 62546939
2-N-(4-ethylcyclohexyl)-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 63469238
2-N-methyl-2-N-(3-methylbutan-2-yl)-4-propan-2-ylcyclohexane-1,2-diamine
CID 55105769
4-propan-2-ylcyclohexane-1,2-diamine
CID 22415223
1-N,2-N-dimethyl-2-N-(1-methylpiperidin-3-yl)cyclohexane-1,2-diamine
CID 62547117
4-[methyl-(1-methylpiperidin-3-yl)amino]pyrrolidin-3-ol
CID 63704738
N-(azetidin-3-yl)-N,1-dimethylpiperidin-3-amine
CID 62785558
2-N-methyl-2-N-pentan-3-yl-4-propan-2-ylcyclohexane-1,2-diamine
CID 62701630
2-N,2-N-bis(3-methylbutyl)-4-propan-2-ylcyclohexane-1,2-diamine
CID 107869613
2-[[cyclopropylmethyl(methyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62709059
2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62708869

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(1-methylpiperidin-3-yl)-4-propan-2-ylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(1-methylpiperidin-3-yl)-4-propan-2-ylcyclohexane-1,2-diamine (CID 62708595) is 2-N-methyl-2-N-(1-methylpiperidin-3-yl)-4-propan-2-ylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(1-methylpiperidin-3-yl)-4-propan-2-ylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(1-methylpiperidin-3-yl)-4-propan-2-ylcyclohexane-1,2-diamine is CC(C)C1CCC(N)C(N(C)C2CCCN(C)C2)C1.
What is the InChIKey of 2-N-methyl-2-N-(1-methylpiperidin-3-yl)-4-propan-2-ylcyclohexane-1,2-diamine?
The InChIKey is WTMPYHMLHRBUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-12(2)13-7-8-15(17)16(10-13)19(4)14-6-5-9-18(3)11-14/h12-16H,5-11,17H2,1-4H3.
What are the key properties of 2-N-methyl-2-N-(1-methylpiperidin-3-yl)-4-propan-2-ylcyclohexane-1,2-diamine?
2-N-methyl-2-N-(1-methylpiperidin-3-yl)-4-propan-2-ylcyclohexane-1,2-diamine has a molecular weight of 267.46 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(1-methylpiperidin-3-yl)-4-propan-2-ylcyclohexane-1,2-diamine is sourced from PubChem (CID 62708595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).