1-cyclohexyl-4-methylidenecyclohexan-1-amine

C13H23N — CID 175883716

IUPAC1-cyclohexyl-4-methylidenecyclohexan-1-amine
SMILESC=C1CCC(N)(C2CCCCC2)CC1
InChIInChI=1S/C13H23N/c1-11-7-9-13(14,10-8-11)12-5-3-2-4-6-12/h12H,1-10,14H2
InChIKeyAPNQCASLLSDVFL-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.39
Rot. Bonds1

About 1-cyclohexyl-4-methylidenecyclohexan-1-amine

1-cyclohexyl-4-methylidenecyclohexan-1-amine (PubChem CID 175883716) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 1-cyclohexyl-4-methylidenecyclohexan-1-amine.

Molecular Properties

Compound Name1-cyclohexyl-4-methylidenecyclohexan-1-amine
PubChem CID175883716
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name1-cyclohexyl-4-methylidenecyclohexan-1-amine
SMILESC=C1CCC(N)(C2CCCCC2)CC1
InChIInChI=1S/C13H23N/c1-11-7-9-13(14,10-8-11)12-5-3-2-4-6-12/h12H,1-10,14H2
InChIKeyAPNQCASLLSDVFL-UHFFFAOYSA-N
XLogP3.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-methylidenecyclohexan-1-amine?
The IUPAC name of 1-cyclohexyl-4-methylidenecyclohexan-1-amine (CID 175883716) is 1-cyclohexyl-4-methylidenecyclohexan-1-amine.
What is the SMILES notation for 1-cyclohexyl-4-methylidenecyclohexan-1-amine?
The canonical SMILES for 1-cyclohexyl-4-methylidenecyclohexan-1-amine is C=C1CCC(N)(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-methylidenecyclohexan-1-amine?
The InChIKey is APNQCASLLSDVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-11-7-9-13(14,10-8-11)12-5-3-2-4-6-12/h12H,1-10,14H2.
What are the key properties of 1-cyclohexyl-4-methylidenecyclohexan-1-amine?
1-cyclohexyl-4-methylidenecyclohexan-1-amine has a molecular weight of 193.33 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-methylidenecyclohexan-1-amine is sourced from PubChem (CID 175883716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).