2-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzamide

C16H22N2O — CID 55061824

IUPAC2-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzamide
SMILESNC(=O)c1ccccc1CNCCC1=CCCCC1
InChIInChI=1S/C16H22N2O/c17-16(19)15-9-5-4-8-14(15)12-18-11-10-13-6-2-1-3-7-13/h4-6,8-9,18H,1-3,7,10-12H2,(H2,17,19)
InChIKeyOLPKOPHQUSSAMF-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.77
Rot. Bonds6

About 2-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzamide

2-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzamide (PubChem CID 55061824) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzamide.

Molecular Properties

Compound Name2-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzamide
PubChem CID55061824
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzamide
SMILESNC(=O)c1ccccc1CNCCC1=CCCCC1
InChIInChI=1S/C16H22N2O/c17-16(19)15-9-5-4-8-14(15)12-18-11-10-13-6-2-1-3-7-13/h4-6,8-9,18H,1-3,7,10-12H2,(H2,17,19)
InChIKeyOLPKOPHQUSSAMF-UHFFFAOYSA-N
XLogP2.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.77
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-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77029871
2-(cyclohexen-1-yl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 17206520
N-[2-[[2-(cyclopenten-1-yl)ethylamino]methyl]phenyl]acetamide
CID 103845316
2-(cyclohexen-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 17210199
2-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzonitrile
CID 60691473
2-[(2-pyrrolidin-1-ylethylamino)methyl]benzamide
CID 55097569
4-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzene-1,3-diol
CID 28620790
N-benzyl-2-(cyclohexen-1-yl)ethanamine;hydrochloride
CID 11948838
2-(cyclopenten-1-yl)-N-[(2-nitrophenyl)methyl]ethanamine
CID 113334945
[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 2-chlorobenzoate
CID 7477025
2-(cyclohexen-1-yl)-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
CID 54847740
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835623

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzamide?
The IUPAC name of 2-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzamide (CID 55061824) is 2-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzamide.
What is the SMILES notation for 2-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzamide?
The canonical SMILES for 2-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzamide is NC(=O)c1ccccc1CNCCC1=CCCCC1.
What is the InChIKey of 2-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzamide?
The InChIKey is OLPKOPHQUSSAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c17-16(19)15-9-5-4-8-14(15)12-18-11-10-13-6-2-1-3-7-13/h4-6,8-9,18H,1-3,7,10-12H2,(H2,17,19).
What are the key properties of 2-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzamide?
2-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzamide has a molecular weight of 258.37 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzamide is sourced from PubChem (CID 55061824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).