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

C15H22ClN — CID 11948838

IUPACN-benzyl-2-(cyclohexen-1-yl)ethanamine;hydrochloride
SMILESC1=C(CCNCc2ccccc2)CCCC1.Cl
InChIInChI=1S/C15H21N.ClH/c1-3-7-14(8-4-1)11-12-16-13-15-9-5-2-6-10-15;/h2,5-7,9-10,16H,1,3-4,8,11-13H2;1H
InChIKeyOJNRDADFRUXXSC-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.09
Rot. Bonds5

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

N-benzyl-2-(cyclohexen-1-yl)ethanamine;hydrochloride (PubChem CID 11948838) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is N-benzyl-2-(cyclohexen-1-yl)ethanamine;hydrochloride.

Molecular Properties

Compound NameN-benzyl-2-(cyclohexen-1-yl)ethanamine;hydrochloride
PubChem CID11948838
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC NameN-benzyl-2-(cyclohexen-1-yl)ethanamine;hydrochloride
SMILESC1=C(CCNCc2ccccc2)CCCC1.Cl
InChIInChI=1S/C15H21N.ClH/c1-3-7-14(8-4-1)11-12-16-13-15-9-5-2-6-10-15;/h2,5-7,9-10,16H,1,3-4,8,11-13H2;1H
InChIKeyOJNRDADFRUXXSC-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.09
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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Related Compounds

2-(cyclohexen-1-yl)-N-[[3-[[2-(cyclohexen-1-yl)ethylamino]methyl]phenyl]methyl]ethanamine
CID 142601205
2-(cyclohexen-1-yl)-N-[(3-methylphenyl)methyl]ethanamine chloride
CID 19627969
4-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzonitrile
CID 28620853
2-(cyclohexen-1-yl)-N-[(4-nitrophenyl)methyl]ethanamine;hydrochloride
CID 17206798
N-benzyl-3-[2-(cyclohexen-1-yl)ethylamino]propanamide
CID 109014814
2-(cyclopenten-1-yl)-N-(naphthalen-2-ylmethyl)ethanamine
CID 106169984
4-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N,N-diethylaniline
CID 17210231
2-(cyclopenten-1-yl)-N-[(3-methylphenyl)methyl]ethanamine
CID 115762870
N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]propanediamide
CID 108942883
N-[2-(cyclopenten-1-yl)ethyl]-4-phenylbutan-1-amine
CID 114153908
2-(cyclohexen-1-yl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 17206520
2-(cyclohexen-1-yl)-N-[(2,6-difluorophenyl)methyl]ethanamine
CID 30056275

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(cyclohexen-1-yl)ethanamine;hydrochloride?
The IUPAC name of N-benzyl-2-(cyclohexen-1-yl)ethanamine;hydrochloride (CID 11948838) is N-benzyl-2-(cyclohexen-1-yl)ethanamine;hydrochloride.
What is the SMILES notation for N-benzyl-2-(cyclohexen-1-yl)ethanamine;hydrochloride?
The canonical SMILES for N-benzyl-2-(cyclohexen-1-yl)ethanamine;hydrochloride is C1=C(CCNCc2ccccc2)CCCC1.Cl.
What is the InChIKey of N-benzyl-2-(cyclohexen-1-yl)ethanamine;hydrochloride?
The InChIKey is OJNRDADFRUXXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N.ClH/c1-3-7-14(8-4-1)11-12-16-13-15-9-5-2-6-10-15;/h2,5-7,9-10,16H,1,3-4,8,11-13H2;1H.
What are the key properties of N-benzyl-2-(cyclohexen-1-yl)ethanamine;hydrochloride?
N-benzyl-2-(cyclohexen-1-yl)ethanamine;hydrochloride has a molecular weight of 251.80 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(cyclohexen-1-yl)ethanamine;hydrochloride is sourced from PubChem (CID 11948838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).