2-N-cycloheptyl-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine

C17H34N2 — CID 63469021

IUPAC2-N-cycloheptyl-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine
SMILESCC(C)C1CCC(N)C(N(C)C2CCCCCC2)C1
InChIInChI=1S/C17H34N2/c1-13(2)14-10-11-16(18)17(12-14)19(3)15-8-6-4-5-7-9-15/h13-17H,4-12,18H2,1-3H3
InChIKeyCOXIMBOTDMPBEW-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.79
Rot. Bonds3

About 2-N-cycloheptyl-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine

2-N-cycloheptyl-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine (PubChem CID 63469021) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 2-N-cycloheptyl-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-cycloheptyl-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine
PubChem CID63469021
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name2-N-cycloheptyl-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine
SMILESCC(C)C1CCC(N)C(N(C)C2CCCCCC2)C1
InChIInChI=1S/C17H34N2/c1-13(2)14-10-11-16(18)17(12-14)19(3)15-8-6-4-5-7-9-15/h13-17H,4-12,18H2,1-3H3
InChIKeyCOXIMBOTDMPBEW-UHFFFAOYSA-N
XLogP3.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(4-ethylcyclohexyl)-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 63469238
2-N-methyl-2-N-(1-methylpiperidin-3-yl)-4-propan-2-ylcyclohexane-1,2-diamine
CID 62708595
2-N-cycloheptyl-2-N,4-dimethylcyclohexane-1,2-diamine
CID 43614024
2-N-cyclopentyl-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 62703317
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
2-N-methyl-2-N-pentan-3-yl-4-propan-2-ylcyclohexane-1,2-diamine
CID 62701630
2-N-cyclopentyl-2-N-methyl-4-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
CID 63466974
2-[(2-amino-5-propan-2-ylcyclohexyl)methyl-cyclohexylamino]ethanol
CID 62707763
4-N-methyl-4-N-(3-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine
CID 107449539
2-N,2-N-bis(3-methylbutyl)-4-propan-2-ylcyclohexane-1,2-diamine
CID 107869613
4-N-methyl-4-N-(4-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine
CID 79121688

Frequently Asked Questions

What is the IUPAC name of 2-N-cycloheptyl-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-cycloheptyl-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine (CID 63469021) is 2-N-cycloheptyl-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-cycloheptyl-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-cycloheptyl-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine is CC(C)C1CCC(N)C(N(C)C2CCCCCC2)C1.
What is the InChIKey of 2-N-cycloheptyl-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine?
The InChIKey is COXIMBOTDMPBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-13(2)14-10-11-16(18)17(12-14)19(3)15-8-6-4-5-7-9-15/h13-17H,4-12,18H2,1-3H3.
What are the key properties of 2-N-cycloheptyl-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine?
2-N-cycloheptyl-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine has a molecular weight of 266.47 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cycloheptyl-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine is sourced from PubChem (CID 63469021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).