3-cyclohexylhex-5-en-3-amine

C12H23N — CID 68639180

IUPAC3-cyclohexylhex-5-en-3-amine
SMILESC=CCC(N)(CC)C1CCCCC1
InChIInChI=1S/C12H23N/c1-3-10-12(13,4-2)11-8-6-5-7-9-11/h3,11H,1,4-10,13H2,2H3
InChIKeyZDOLFANHXWLVGA-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.25
Rot. Bonds4

About 3-cyclohexylhex-5-en-3-amine

3-cyclohexylhex-5-en-3-amine (PubChem CID 68639180) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 3-cyclohexylhex-5-en-3-amine.

Molecular Properties

Compound Name3-cyclohexylhex-5-en-3-amine
PubChem CID68639180
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name3-cyclohexylhex-5-en-3-amine
SMILESC=CCC(N)(CC)C1CCCCC1
InChIInChI=1S/C12H23N/c1-3-10-12(13,4-2)11-8-6-5-7-9-11/h3,11H,1,4-10,13H2,2H3
InChIKeyZDOLFANHXWLVGA-UHFFFAOYSA-N
XLogP3.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.25
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 3-cyclohexylhex-5-en-3-amine?
The IUPAC name of 3-cyclohexylhex-5-en-3-amine (CID 68639180) is 3-cyclohexylhex-5-en-3-amine.
What is the SMILES notation for 3-cyclohexylhex-5-en-3-amine?
The canonical SMILES for 3-cyclohexylhex-5-en-3-amine is C=CCC(N)(CC)C1CCCCC1.
What is the InChIKey of 3-cyclohexylhex-5-en-3-amine?
The InChIKey is ZDOLFANHXWLVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-3-10-12(13,4-2)11-8-6-5-7-9-11/h3,11H,1,4-10,13H2,2H3.
What are the key properties of 3-cyclohexylhex-5-en-3-amine?
3-cyclohexylhex-5-en-3-amine has a molecular weight of 181.32 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylhex-5-en-3-amine is sourced from PubChem (CID 68639180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).