1,2-bis(prop-2-enyl)cyclohexan-1-amine

C12H21N — CID 18668093

IUPAC1,2-bis(prop-2-enyl)cyclohexan-1-amine
SMILESC=CCC1CCCCC1(N)CC=C
InChIInChI=1S/C12H21N/c1-3-7-11-8-5-6-10-12(11,13)9-4-2/h3-4,11H,1-2,5-10,13H2
InChIKeyNZJJARHVKKYUIF-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.03
Rot. Bonds4

About 1,2-bis(prop-2-enyl)cyclohexan-1-amine

1,2-bis(prop-2-enyl)cyclohexan-1-amine (PubChem CID 18668093) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 1,2-bis(prop-2-enyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1,2-bis(prop-2-enyl)cyclohexan-1-amine
PubChem CID18668093
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name1,2-bis(prop-2-enyl)cyclohexan-1-amine
SMILESC=CCC1CCCCC1(N)CC=C
InChIInChI=1S/C12H21N/c1-3-7-11-8-5-6-10-12(11,13)9-4-2/h3-4,11H,1-2,5-10,13H2
InChIKeyNZJJARHVKKYUIF-UHFFFAOYSA-N
XLogP3.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.03
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 1,2-bis(prop-2-enyl)cyclohexan-1-amine?
The IUPAC name of 1,2-bis(prop-2-enyl)cyclohexan-1-amine (CID 18668093) is 1,2-bis(prop-2-enyl)cyclohexan-1-amine.
What is the SMILES notation for 1,2-bis(prop-2-enyl)cyclohexan-1-amine?
The canonical SMILES for 1,2-bis(prop-2-enyl)cyclohexan-1-amine is C=CCC1CCCCC1(N)CC=C.
What is the InChIKey of 1,2-bis(prop-2-enyl)cyclohexan-1-amine?
The InChIKey is NZJJARHVKKYUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-3-7-11-8-5-6-10-12(11,13)9-4-2/h3-4,11H,1-2,5-10,13H2.
What are the key properties of 1,2-bis(prop-2-enyl)cyclohexan-1-amine?
1,2-bis(prop-2-enyl)cyclohexan-1-amine has a molecular weight of 179.31 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(prop-2-enyl)cyclohexan-1-amine is sourced from PubChem (CID 18668093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).