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

C15H27ClN- — CID 19627968

IUPAC2-(cyclohexen-1-yl)-N-(cyclohexylmethyl)ethanamine chloride
SMILESC1=C(CCNCC2CCCCC2)CCCC1.[Cl-]
InChIInChI=1S/C15H27N.ClH/c1-3-7-14(8-4-1)11-12-16-13-15-9-5-2-6-10-15;/h7,15-16H,1-6,8-13H2;1H/p-1
InChIKeyKIZQNPUDFBOQMY-UHFFFAOYSA-M
MW256.84 g/mol
LogP1.05
Rot. Bonds5

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

2-(cyclohexen-1-yl)-N-(cyclohexylmethyl)ethanamine chloride (PubChem CID 19627968) has the molecular formula C15H27ClN- and a molecular weight of 256.84 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-(cyclohexylmethyl)ethanamine chloride.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-(cyclohexylmethyl)ethanamine chloride
PubChem CID19627968
Molecular FormulaC15H27ClN-
Molecular Weight256.84 g/mol
Exact Mass256.18
IUPAC Name2-(cyclohexen-1-yl)-N-(cyclohexylmethyl)ethanamine chloride
SMILESC1=C(CCNCC2CCCCC2)CCCC1.[Cl-]
InChIInChI=1S/C15H27N.ClH/c1-3-7-14(8-4-1)11-12-16-13-15-9-5-2-6-10-15;/h7,15-16H,1-6,8-13H2;1H/p-1
InChIKeyKIZQNPUDFBOQMY-UHFFFAOYSA-M
XLogP1.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.84
LogP ≤ 51.05
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-(cyclohexylmethyl)ethanamine chloride?
The IUPAC name of 2-(cyclohexen-1-yl)-N-(cyclohexylmethyl)ethanamine chloride (CID 19627968) is 2-(cyclohexen-1-yl)-N-(cyclohexylmethyl)ethanamine chloride.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-(cyclohexylmethyl)ethanamine chloride?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-(cyclohexylmethyl)ethanamine chloride is C1=C(CCNCC2CCCCC2)CCCC1.[Cl-].
What is the InChIKey of 2-(cyclohexen-1-yl)-N-(cyclohexylmethyl)ethanamine chloride?
The InChIKey is KIZQNPUDFBOQMY-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H27N.ClH/c1-3-7-14(8-4-1)11-12-16-13-15-9-5-2-6-10-15;/h7,15-16H,1-6,8-13H2;1H/p-1.
What are the key properties of 2-(cyclohexen-1-yl)-N-(cyclohexylmethyl)ethanamine chloride?
2-(cyclohexen-1-yl)-N-(cyclohexylmethyl)ethanamine chloride has a molecular weight of 256.84 g/mol, XLogP of 1.05, 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-(cyclohexylmethyl)ethanamine chloride is sourced from PubChem (CID 19627968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).