3-(aminomethyl)-N-(1-cyclohexylethyl)benzamide

C16H24N2O — CID 55069258

IUPAC3-(aminomethyl)-N-(1-cyclohexylethyl)benzamide
SMILESCC(NC(=O)c1cccc(CN)c1)C1CCCCC1
InChIInChI=1S/C16H24N2O/c1-12(14-7-3-2-4-8-14)18-16(19)15-9-5-6-13(10-15)11-17/h5-6,9-10,12,14H,2-4,7-8,11,17H2,1H3,(H,18,19)
InChIKeyPMBTUFAREMAACG-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.84
Rot. Bonds4

About 3-(aminomethyl)-N-(1-cyclohexylethyl)benzamide

3-(aminomethyl)-N-(1-cyclohexylethyl)benzamide (PubChem CID 55069258) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(1-cyclohexylethyl)benzamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(1-cyclohexylethyl)benzamide
PubChem CID55069258
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-(aminomethyl)-N-(1-cyclohexylethyl)benzamide
SMILESCC(NC(=O)c1cccc(CN)c1)C1CCCCC1
InChIInChI=1S/C16H24N2O/c1-12(14-7-3-2-4-8-14)18-16(19)15-9-5-6-13(10-15)11-17/h5-6,9-10,12,14H,2-4,7-8,11,17H2,1H3,(H,18,19)
InChIKeyPMBTUFAREMAACG-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]benzamide
CID 81392809
3-amino-N-(1-cyclohexylethyl)benzamide
CID 62404995
3-(aminomethyl)-N-butan-2-ylbenzamide
CID 16778307
N-[(1S)-1-cyclohexylethyl]-2-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]-2-pyridinyl]pyridine-4-carboxamide
CID 132516828
N-(2-amino-1-cyclohexylethyl)-3-(methylsulfinylmethyl)benzamide
CID 119589426
N-[(1S)-1-cyclohexylethyl]-3-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]benzamide
CID 101168952
N-[(1S)-1-cyclohexylethyl]-4-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]phenyl]benzamide
CID 132596984
3-(aminomethyl)-N-(3-ethylpentan-2-yl)benzamide
CID 55261527
4-(bromomethyl)-N-[(1R)-1-cycloheptylethyl]benzamide
CID 102851926
3-amino-4-chloro-N-[(1R)-1-cycloheptylethyl]benzamide
CID 81392061
4-amino-3-bromo-N-[(1R)-1-cycloheptylethyl]benzamide
CID 81392320
3-(aminomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61240501

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(1-cyclohexylethyl)benzamide?
The IUPAC name of 3-(aminomethyl)-N-(1-cyclohexylethyl)benzamide (CID 55069258) is 3-(aminomethyl)-N-(1-cyclohexylethyl)benzamide.
What is the SMILES notation for 3-(aminomethyl)-N-(1-cyclohexylethyl)benzamide?
The canonical SMILES for 3-(aminomethyl)-N-(1-cyclohexylethyl)benzamide is CC(NC(=O)c1cccc(CN)c1)C1CCCCC1.
What is the InChIKey of 3-(aminomethyl)-N-(1-cyclohexylethyl)benzamide?
The InChIKey is PMBTUFAREMAACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(14-7-3-2-4-8-14)18-16(19)15-9-5-6-13(10-15)11-17/h5-6,9-10,12,14H,2-4,7-8,11,17H2,1H3,(H,18,19).
What are the key properties of 3-(aminomethyl)-N-(1-cyclohexylethyl)benzamide?
3-(aminomethyl)-N-(1-cyclohexylethyl)benzamide has a molecular weight of 260.38 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(1-cyclohexylethyl)benzamide is sourced from PubChem (CID 55069258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).