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

C15H28ClN — CID 11948824

IUPAC2-(cyclohexen-1-yl)-N-(cyclohexylmethyl)ethanamine;hydrochloride
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
InChIKeyKIZQNPUDFBOQMY-UHFFFAOYSA-N
MW257.85 g/mol
LogP4.47
Rot. Bonds5

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

2-(cyclohexen-1-yl)-N-(cyclohexylmethyl)ethanamine;hydrochloride (PubChem CID 11948824) has the molecular formula C15H28ClN and a molecular weight of 257.85 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-(cyclohexylmethyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-(cyclohexylmethyl)ethanamine;hydrochloride
PubChem CID11948824
Molecular FormulaC15H28ClN
Molecular Weight257.85 g/mol
Exact Mass257.19
IUPAC Name2-(cyclohexen-1-yl)-N-(cyclohexylmethyl)ethanamine;hydrochloride
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
InChIKeyKIZQNPUDFBOQMY-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.85
LogP ≤ 54.47
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;hydrochloride?
The IUPAC name of 2-(cyclohexen-1-yl)-N-(cyclohexylmethyl)ethanamine;hydrochloride (CID 11948824) is 2-(cyclohexen-1-yl)-N-(cyclohexylmethyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-(cyclohexylmethyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-(cyclohexylmethyl)ethanamine;hydrochloride is C1=C(CCNCC2CCCCC2)CCCC1.Cl.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-(cyclohexylmethyl)ethanamine;hydrochloride?
The InChIKey is KIZQNPUDFBOQMY-UHFFFAOYSA-N. 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.
What are the key properties of 2-(cyclohexen-1-yl)-N-(cyclohexylmethyl)ethanamine;hydrochloride?
2-(cyclohexen-1-yl)-N-(cyclohexylmethyl)ethanamine;hydrochloride has a molecular weight of 257.85 g/mol, XLogP of 4.47, 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;hydrochloride is sourced from PubChem (CID 11948824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).