1-cycloheptyl-2-methylcyclohexane-1,2-diamine

C14H28N2 — CID 129213673

IUPAC1-cycloheptyl-2-methylcyclohexane-1,2-diamine
SMILESCC1(N)CCCCC1(N)C1CCCCCC1
InChIInChI=1S/C14H28N2/c1-13(15)10-6-7-11-14(13,16)12-8-4-2-3-5-9-12/h12H,2-11,15-16H2,1H3
InChIKeyXUSIOPYYUGWAPB-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.95
Rot. Bonds1

About 1-cycloheptyl-2-methylcyclohexane-1,2-diamine

1-cycloheptyl-2-methylcyclohexane-1,2-diamine (PubChem CID 129213673) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-cycloheptyl-2-methylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-cycloheptyl-2-methylcyclohexane-1,2-diamine
PubChem CID129213673
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-cycloheptyl-2-methylcyclohexane-1,2-diamine
SMILESCC1(N)CCCCC1(N)C1CCCCCC1
InChIInChI=1S/C14H28N2/c1-13(15)10-6-7-11-14(13,16)12-8-4-2-3-5-9-12/h12H,2-11,15-16H2,1H3
InChIKeyXUSIOPYYUGWAPB-UHFFFAOYSA-N
XLogP2.95
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 83682013
(1-methylcyclopentyl)cyclohexane
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1-cyclooctylcyclooctan-1-amine
CID 19973273
2-cycloheptyl-2-methylcycloheptan-1-amine
CID 160840107
1-cycloheptyl-2-methylcyclohexan-1-amine
CID 82931177
3-cycloheptylbicyclo[1.1.1]pentan-1-amine;hydrochloride
CID 165485494
spiro[5.6]dodecan-12-amine
CID 15021866
(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene
CID 71361825
1,1-di(cyclooctyl)cyclooctane
CID 23107007
2-fluoro-1-methylcyclooctan-1-amine
CID 166879291
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CID 58800826

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2-methylcyclohexane-1,2-diamine?
The IUPAC name of 1-cycloheptyl-2-methylcyclohexane-1,2-diamine (CID 129213673) is 1-cycloheptyl-2-methylcyclohexane-1,2-diamine.
What is the SMILES notation for 1-cycloheptyl-2-methylcyclohexane-1,2-diamine?
The canonical SMILES for 1-cycloheptyl-2-methylcyclohexane-1,2-diamine is CC1(N)CCCCC1(N)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-2-methylcyclohexane-1,2-diamine?
The InChIKey is XUSIOPYYUGWAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-13(15)10-6-7-11-14(13,16)12-8-4-2-3-5-9-12/h12H,2-11,15-16H2,1H3.
What are the key properties of 1-cycloheptyl-2-methylcyclohexane-1,2-diamine?
1-cycloheptyl-2-methylcyclohexane-1,2-diamine has a molecular weight of 224.39 g/mol, XLogP of 2.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-2-methylcyclohexane-1,2-diamine is sourced from PubChem (CID 129213673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).