3-cycloheptylcyclohexan-1-amine

C13H25N — CID 82924474

IUPAC3-cycloheptylcyclohexan-1-amine
SMILESNC1CCCC(C2CCCCCC2)C1
InChIInChI=1S/C13H25N/c14-13-9-5-8-12(10-13)11-6-3-1-2-4-7-11/h11-13H,1-10,14H2
InChIKeyKEPVBRCOAISLBD-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.47
Rot. Bonds1

About 3-cycloheptylcyclohexan-1-amine

3-cycloheptylcyclohexan-1-amine (PubChem CID 82924474) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 3-cycloheptylcyclohexan-1-amine.

Molecular Properties

Compound Name3-cycloheptylcyclohexan-1-amine
PubChem CID82924474
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name3-cycloheptylcyclohexan-1-amine
SMILESNC1CCCC(C2CCCCCC2)C1
InChIInChI=1S/C13H25N/c14-13-9-5-8-12(10-13)11-6-3-1-2-4-7-11/h11-13H,1-10,14H2
InChIKeyKEPVBRCOAISLBD-UHFFFAOYSA-N
XLogP3.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cycloheptylcyclohexan-1-amine?
The IUPAC name of 3-cycloheptylcyclohexan-1-amine (CID 82924474) is 3-cycloheptylcyclohexan-1-amine.
What is the SMILES notation for 3-cycloheptylcyclohexan-1-amine?
The canonical SMILES for 3-cycloheptylcyclohexan-1-amine is NC1CCCC(C2CCCCCC2)C1.
What is the InChIKey of 3-cycloheptylcyclohexan-1-amine?
The InChIKey is KEPVBRCOAISLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c14-13-9-5-8-12(10-13)11-6-3-1-2-4-7-11/h11-13H,1-10,14H2.
What are the key properties of 3-cycloheptylcyclohexan-1-amine?
3-cycloheptylcyclohexan-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptylcyclohexan-1-amine is sourced from PubChem (CID 82924474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).