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

C12H22ClN — CID 18668092

IUPAC1,2-bis(prop-2-enyl)cyclohexan-1-amine;hydrochloride
SMILESC=CCC1CCCCC1(N)CC=C.Cl
InChIInChI=1S/C12H21N.ClH/c1-3-7-11-8-5-6-10-12(11,13)9-4-2;/h3-4,11H,1-2,5-10,13H2;1H
InChIKeyDPMRVWIUHAWSHV-UHFFFAOYSA-N
MW215.77 g/mol
LogP3.45
Rot. Bonds4

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

1,2-bis(prop-2-enyl)cyclohexan-1-amine;hydrochloride (PubChem CID 18668092) has the molecular formula C12H22ClN and a molecular weight of 215.77 g/mol. Its IUPAC name is 1,2-bis(prop-2-enyl)cyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name1,2-bis(prop-2-enyl)cyclohexan-1-amine;hydrochloride
PubChem CID18668092
Molecular FormulaC12H22ClN
Molecular Weight215.77 g/mol
Exact Mass215.14
IUPAC Name1,2-bis(prop-2-enyl)cyclohexan-1-amine;hydrochloride
SMILESC=CCC1CCCCC1(N)CC=C.Cl
InChIInChI=1S/C12H21N.ClH/c1-3-7-11-8-5-6-10-12(11,13)9-4-2;/h3-4,11H,1-2,5-10,13H2;1H
InChIKeyDPMRVWIUHAWSHV-UHFFFAOYSA-N
XLogP3.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.77
LogP ≤ 53.45
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;hydrochloride?
The IUPAC name of 1,2-bis(prop-2-enyl)cyclohexan-1-amine;hydrochloride (CID 18668092) is 1,2-bis(prop-2-enyl)cyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 1,2-bis(prop-2-enyl)cyclohexan-1-amine;hydrochloride?
The canonical SMILES for 1,2-bis(prop-2-enyl)cyclohexan-1-amine;hydrochloride is C=CCC1CCCCC1(N)CC=C.Cl.
What is the InChIKey of 1,2-bis(prop-2-enyl)cyclohexan-1-amine;hydrochloride?
The InChIKey is DPMRVWIUHAWSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N.ClH/c1-3-7-11-8-5-6-10-12(11,13)9-4-2;/h3-4,11H,1-2,5-10,13H2;1H.
What are the key properties of 1,2-bis(prop-2-enyl)cyclohexan-1-amine;hydrochloride?
1,2-bis(prop-2-enyl)cyclohexan-1-amine;hydrochloride has a molecular weight of 215.77 g/mol, XLogP of 3.45, 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;hydrochloride is sourced from PubChem (CID 18668092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).