N-[1-(aminomethyl)cyclohexyl]-4-tert-butylbenzamide

C18H28N2O — CID 63754595

IUPACN-[1-(aminomethyl)cyclohexyl]-4-tert-butylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)NC2(CN)CCCCC2)cc1
InChIInChI=1S/C18H28N2O/c1-17(2,3)15-9-7-14(8-10-15)16(21)20-18(13-19)11-5-4-6-12-18/h7-10H,4-6,11-13,19H2,1-3H3,(H,20,21)
InChIKeyFDPXWONOCJLZTG-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.38
Rot. Bonds3

About N-[1-(aminomethyl)cyclohexyl]-4-tert-butylbenzamide

N-[1-(aminomethyl)cyclohexyl]-4-tert-butylbenzamide (PubChem CID 63754595) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]-4-tert-butylbenzamide
PubChem CID63754595
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[1-(aminomethyl)cyclohexyl]-4-tert-butylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)NC2(CN)CCCCC2)cc1
InChIInChI=1S/C18H28N2O/c1-17(2,3)15-9-7-14(8-10-15)16(21)20-18(13-19)11-5-4-6-12-18/h7-10H,4-6,11-13,19H2,1-3H3,(H,20,21)
InChIKeyFDPXWONOCJLZTG-UHFFFAOYSA-N
XLogP3.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetyl-N-[1-(aminomethyl)cyclopentyl]benzamide;hydrochloride
CID 119564862
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide
CID 63753788
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide;hydrochloride
CID 119567161
N-[1-(aminomethyl)cyclopentyl]-4-methoxybenzamide;hydrochloride
CID 119566284
N-[1-(aminomethyl)cyclopentyl]-4-ethylsulfonylbenzamide
CID 119567918
4-tert-butyl-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115764816
N-[1-(aminomethyl)cyclohexyl]-6-methylpyridine-3-carboxamide
CID 63755844
N-[1-(aminomethyl)cyclopentyl]-4-(methylsulfonylmethyl)benzamide
CID 119565747
N-[1-(aminomethyl)cyclopentyl]-4-hydroxy-3-methylbenzamide
CID 107672060
N-[1-(aminomethyl)cyclopentyl]-4-benzamidobenzamide
CID 119567292
N-[1-(aminomethyl)cyclopentyl]-6-methylpyridine-3-carboxamide
CID 63753423
N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-methylbenzamide
CID 63754151

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclohexyl]-4-tert-butylbenzamide?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]-4-tert-butylbenzamide (CID 63754595) is N-[1-(aminomethyl)cyclohexyl]-4-tert-butylbenzamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]-4-tert-butylbenzamide?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]-4-tert-butylbenzamide is CC(C)(C)c1ccc(C(=O)NC2(CN)CCCCC2)cc1.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]-4-tert-butylbenzamide?
The InChIKey is FDPXWONOCJLZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-17(2,3)15-9-7-14(8-10-15)16(21)20-18(13-19)11-5-4-6-12-18/h7-10H,4-6,11-13,19H2,1-3H3,(H,20,21).
What are the key properties of N-[1-(aminomethyl)cyclohexyl]-4-tert-butylbenzamide?
N-[1-(aminomethyl)cyclohexyl]-4-tert-butylbenzamide has a molecular weight of 288.44 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclohexyl]-4-tert-butylbenzamide is sourced from PubChem (CID 63754595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).