2-(cyclohexen-1-yl)-N-(cyclopropylmethyl)ethanamine chloride

C12H21ClN- — CID 19627963

IUPAC2-(cyclohexen-1-yl)-N-(cyclopropylmethyl)ethanamine chloride
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/p-1
InChIKeyKFUKVIGBXKOZGH-UHFFFAOYSA-M
MW214.76 g/mol
LogP-0.12
Rot. Bonds5

About 2-(cyclohexen-1-yl)-N-(cyclopropylmethyl)ethanamine chloride

2-(cyclohexen-1-yl)-N-(cyclopropylmethyl)ethanamine chloride (PubChem CID 19627963) has the molecular formula C12H21ClN- and a molecular weight of 214.76 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-(cyclopropylmethyl)ethanamine chloride.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-(cyclopropylmethyl)ethanamine chloride
PubChem CID19627963
Molecular FormulaC12H21ClN-
Molecular Weight214.76 g/mol
Exact Mass214.14
IUPAC Name2-(cyclohexen-1-yl)-N-(cyclopropylmethyl)ethanamine chloride
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/p-1
InChIKeyKFUKVIGBXKOZGH-UHFFFAOYSA-M
XLogP-0.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.76
LogP ≤ 5-0.12
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 chloride?
The IUPAC name of 2-(cyclohexen-1-yl)-N-(cyclopropylmethyl)ethanamine chloride (CID 19627963) is 2-(cyclohexen-1-yl)-N-(cyclopropylmethyl)ethanamine chloride.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-(cyclopropylmethyl)ethanamine chloride?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-(cyclopropylmethyl)ethanamine chloride is C1=C(CCNCC2CC2)CCCC1.[Cl-].
What is the InChIKey of 2-(cyclohexen-1-yl)-N-(cyclopropylmethyl)ethanamine chloride?
The InChIKey is KFUKVIGBXKOZGH-UHFFFAOYSA-M. 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/p-1.
What are the key properties of 2-(cyclohexen-1-yl)-N-(cyclopropylmethyl)ethanamine chloride?
2-(cyclohexen-1-yl)-N-(cyclopropylmethyl)ethanamine chloride has a molecular weight of 214.76 g/mol, XLogP of -0.12, 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 chloride is sourced from PubChem (CID 19627963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).