2,6-bis(prop-2-enyl)cyclohexan-1-amine

C12H21N — CID 67301569

IUPAC2,6-bis(prop-2-enyl)cyclohexan-1-amine
SMILESC=CCC1CCCC(CC=C)C1N
InChIInChI=1S/C12H21N/c1-3-6-10-8-5-9-11(7-4-2)12(10)13/h3-4,10-12H,1-2,5-9,13H2
InChIKeyJVDOOZDDJOMSMQ-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.88
Rot. Bonds4

About 2,6-bis(prop-2-enyl)cyclohexan-1-amine

2,6-bis(prop-2-enyl)cyclohexan-1-amine (PubChem CID 67301569) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 2,6-bis(prop-2-enyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,6-bis(prop-2-enyl)cyclohexan-1-amine
PubChem CID67301569
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name2,6-bis(prop-2-enyl)cyclohexan-1-amine
SMILESC=CCC1CCCC(CC=C)C1N
InChIInChI=1S/C12H21N/c1-3-6-10-8-5-9-11(7-4-2)12(10)13/h3-4,10-12H,1-2,5-9,13H2
InChIKeyJVDOOZDDJOMSMQ-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
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 2,6-bis(prop-2-enyl)cyclohexan-1-amine?
The IUPAC name of 2,6-bis(prop-2-enyl)cyclohexan-1-amine (CID 67301569) is 2,6-bis(prop-2-enyl)cyclohexan-1-amine.
What is the SMILES notation for 2,6-bis(prop-2-enyl)cyclohexan-1-amine?
The canonical SMILES for 2,6-bis(prop-2-enyl)cyclohexan-1-amine is C=CCC1CCCC(CC=C)C1N.
What is the InChIKey of 2,6-bis(prop-2-enyl)cyclohexan-1-amine?
The InChIKey is JVDOOZDDJOMSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-3-6-10-8-5-9-11(7-4-2)12(10)13/h3-4,10-12H,1-2,5-9,13H2.
What are the key properties of 2,6-bis(prop-2-enyl)cyclohexan-1-amine?
2,6-bis(prop-2-enyl)cyclohexan-1-amine has a molecular weight of 179.31 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(prop-2-enyl)cyclohexan-1-amine is sourced from PubChem (CID 67301569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).