2-(cyclohexen-1-yl)-N-[[3-[[2-(cyclohexen-1-yl)ethylamino]methyl]phenyl]methyl]ethanamine

C24H36N2 — CID 142601205

IUPAC2-(cyclohexen-1-yl)-N-[[3-[[2-(cyclohexen-1-yl)ethylamino]methyl]phenyl]methyl]ethanamine
SMILESC1=C(CCNCc2cccc(CNCCC3=CCCCC3)c2)CCCC1
InChIInChI=1S/C24H36N2/c1-3-8-21(9-4-1)14-16-25-19-23-12-7-13-24(18-23)20-26-17-15-22-10-5-2-6-11-22/h7-8,10,12-13,18,25-26H,1-6,9,11,14-17,19-20H2
InChIKeyVJHDQXJDFZPDIR-UHFFFAOYSA-N
MW352.57 g/mol
LogP5.65
Rot. Bonds10

About 2-(cyclohexen-1-yl)-N-[[3-[[2-(cyclohexen-1-yl)ethylamino]methyl]phenyl]methyl]ethanamine

2-(cyclohexen-1-yl)-N-[[3-[[2-(cyclohexen-1-yl)ethylamino]methyl]phenyl]methyl]ethanamine (PubChem CID 142601205) has the molecular formula C24H36N2 and a molecular weight of 352.57 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[[3-[[2-(cyclohexen-1-yl)ethylamino]methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[[3-[[2-(cyclohexen-1-yl)ethylamino]methyl]phenyl]methyl]ethanamine
PubChem CID142601205
Molecular FormulaC24H36N2
Molecular Weight352.57 g/mol
Exact Mass352.29
IUPAC Name2-(cyclohexen-1-yl)-N-[[3-[[2-(cyclohexen-1-yl)ethylamino]methyl]phenyl]methyl]ethanamine
SMILESC1=C(CCNCc2cccc(CNCCC3=CCCCC3)c2)CCCC1
InChIInChI=1S/C24H36N2/c1-3-8-21(9-4-1)14-16-25-19-23-12-7-13-24(18-23)20-26-17-15-22-10-5-2-6-11-22/h7-8,10,12-13,18,25-26H,1-6,9,11,14-17,19-20H2
InChIKeyVJHDQXJDFZPDIR-UHFFFAOYSA-N
XLogP5.65
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.57
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-methylphenyl)methyl]ethanamine chloride
CID 19627969
N-benzyl-2-(cyclohexen-1-yl)ethanamine;hydrochloride
CID 11948838
2-(cyclopenten-1-yl)-N-[(3-methylphenyl)methyl]ethanamine
CID 115762870
2-(cyclopenten-1-yl)-N-(naphthalen-2-ylmethyl)ethanamine
CID 106169984
2-(cyclohexen-1-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine
CID 17210383
2-(cyclohexen-1-yl)-N-[(3-prop-2-ynoxyphenyl)methyl]ethanamine
CID 94074436
2-(cyclohexen-1-yl)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 17210091
2-(cyclohexen-1-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine;hydrochloride
CID 17210382
2-(cyclopenten-1-yl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 103845245
2-(cyclohexen-1-yl)-N-[(2,6-difluorophenyl)methyl]ethanamine
CID 30056275
4-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzonitrile
CID 28620853
2-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 17206949

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-[[3-[[2-(cyclohexen-1-yl)ethylamino]methyl]phenyl]methyl]ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[[3-[[2-(cyclohexen-1-yl)ethylamino]methyl]phenyl]methyl]ethanamine (CID 142601205) is 2-(cyclohexen-1-yl)-N-[[3-[[2-(cyclohexen-1-yl)ethylamino]methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[[3-[[2-(cyclohexen-1-yl)ethylamino]methyl]phenyl]methyl]ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[[3-[[2-(cyclohexen-1-yl)ethylamino]methyl]phenyl]methyl]ethanamine is C1=C(CCNCc2cccc(CNCCC3=CCCCC3)c2)CCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[[3-[[2-(cyclohexen-1-yl)ethylamino]methyl]phenyl]methyl]ethanamine?
The InChIKey is VJHDQXJDFZPDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2/c1-3-8-21(9-4-1)14-16-25-19-23-12-7-13-24(18-23)20-26-17-15-22-10-5-2-6-11-22/h7-8,10,12-13,18,25-26H,1-6,9,11,14-17,19-20H2.
What are the key properties of 2-(cyclohexen-1-yl)-N-[[3-[[2-(cyclohexen-1-yl)ethylamino]methyl]phenyl]methyl]ethanamine?
2-(cyclohexen-1-yl)-N-[[3-[[2-(cyclohexen-1-yl)ethylamino]methyl]phenyl]methyl]ethanamine has a molecular weight of 352.57 g/mol, XLogP of 5.65, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[[3-[[2-(cyclohexen-1-yl)ethylamino]methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 142601205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).