2-(cyclohexen-1-yl)-N-(cyclopropylmethyl)ethanamine;hydrochloride

C12H22ClN — CID 11948802

IUPAC2-(cyclohexen-1-yl)-N-(cyclopropylmethyl)ethanamine;hydrochloride
SMILESC1=C(CCNCC2CC2)CCCC1.Cl
InChIInChI=1S/C12H21N.ClH/c1-2-4-11(5-3-1)8-9-13-10-12-6-7-12;/h4,12-13H,1-3,5-10H2;1H
InChIKeyKFUKVIGBXKOZGH-UHFFFAOYSA-N
MW215.77 g/mol
LogP3.30
Rot. Bonds5

About 2-(cyclohexen-1-yl)-N-(cyclopropylmethyl)ethanamine;hydrochloride

2-(cyclohexen-1-yl)-N-(cyclopropylmethyl)ethanamine;hydrochloride (PubChem CID 11948802) has the molecular formula C12H22ClN and a molecular weight of 215.77 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-(cyclopropylmethyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-(cyclopropylmethyl)ethanamine;hydrochloride
PubChem CID11948802
Molecular FormulaC12H22ClN
Molecular Weight215.77 g/mol
Exact Mass215.14
IUPAC Name2-(cyclohexen-1-yl)-N-(cyclopropylmethyl)ethanamine;hydrochloride
SMILESC1=C(CCNCC2CC2)CCCC1.Cl
InChIInChI=1S/C12H21N.ClH/c1-2-4-11(5-3-1)8-9-13-10-12-6-7-12;/h4,12-13H,1-3,5-10H2;1H
InChIKeyKFUKVIGBXKOZGH-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.77
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-(cyclopropylmethyl)ethanamine;hydrochloride?
The IUPAC name of 2-(cyclohexen-1-yl)-N-(cyclopropylmethyl)ethanamine;hydrochloride (CID 11948802) is 2-(cyclohexen-1-yl)-N-(cyclopropylmethyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-(cyclopropylmethyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-(cyclopropylmethyl)ethanamine;hydrochloride is C1=C(CCNCC2CC2)CCCC1.Cl.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-(cyclopropylmethyl)ethanamine;hydrochloride?
The InChIKey is KFUKVIGBXKOZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N.ClH/c1-2-4-11(5-3-1)8-9-13-10-12-6-7-12;/h4,12-13H,1-3,5-10H2;1H.
What are the key properties of 2-(cyclohexen-1-yl)-N-(cyclopropylmethyl)ethanamine;hydrochloride?
2-(cyclohexen-1-yl)-N-(cyclopropylmethyl)ethanamine;hydrochloride has a molecular weight of 215.77 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-(cyclopropylmethyl)ethanamine;hydrochloride is sourced from PubChem (CID 11948802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).