N-[1-(aminomethyl)-3-methylcyclohexyl]-4-propan-2-ylbenzamide

C18H28N2O — CID 63756015

IUPACN-[1-(aminomethyl)-3-methylcyclohexyl]-4-propan-2-ylbenzamide
SMILESCC1CCCC(CN)(NC(=O)c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C18H28N2O/c1-13(2)15-6-8-16(9-7-15)17(21)20-18(12-19)10-4-5-14(3)11-18/h6-9,13-14H,4-5,10-12,19H2,1-3H3,(H,20,21)
InChIKeyFLQAKYNMSJGPLK-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.45
Rot. Bonds4

About N-[1-(aminomethyl)-3-methylcyclohexyl]-4-propan-2-ylbenzamide

N-[1-(aminomethyl)-3-methylcyclohexyl]-4-propan-2-ylbenzamide (PubChem CID 63756015) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3-methylcyclohexyl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3-methylcyclohexyl]-4-propan-2-ylbenzamide
PubChem CID63756015
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[1-(aminomethyl)-3-methylcyclohexyl]-4-propan-2-ylbenzamide
SMILESCC1CCCC(CN)(NC(=O)c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C18H28N2O/c1-13(2)15-6-8-16(9-7-15)17(21)20-18(12-19)10-4-5-14(3)11-18/h6-9,13-14H,4-5,10-12,19H2,1-3H3,(H,20,21)
InChIKeyFLQAKYNMSJGPLK-UHFFFAOYSA-N
XLogP3.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-propan-2-ylbenzamide
CID 65124108
N-[4-(aminomethyl)oxan-4-yl]-4-propan-2-ylbenzamide
CID 106297338
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylpropanamide
CID 63753681
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-hydroxy-4-methylbenzamide
CID 63754048
N-[1-(chloromethyl)-3-methylcyclohexyl]-4-iodobenzamide
CID 113273147
methyl N-[1-(aminomethyl)-3-methylcyclohexyl]carbamate
CID 63766942
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methoxybenzamide
CID 62527012
N-[1-(bromomethyl)-3-methylcyclohexyl]-4-ethylbenzamide
CID 114314594
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethoxybenzamide
CID 63754045
1-[1-(aminomethyl)-3-methylcyclohexyl]-3-benzylurea
CID 107654538
N-[1-(aminomethyl)-3-methylcyclohexyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104672843
4-acetyl-N-[1-(aminomethyl)cyclopentyl]benzamide;hydrochloride
CID 119564862

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3-methylcyclohexyl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[1-(aminomethyl)-3-methylcyclohexyl]-4-propan-2-ylbenzamide (CID 63756015) is N-[1-(aminomethyl)-3-methylcyclohexyl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[1-(aminomethyl)-3-methylcyclohexyl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[1-(aminomethyl)-3-methylcyclohexyl]-4-propan-2-ylbenzamide is CC1CCCC(CN)(NC(=O)c2ccc(C(C)C)cc2)C1.
What is the InChIKey of N-[1-(aminomethyl)-3-methylcyclohexyl]-4-propan-2-ylbenzamide?
The InChIKey is FLQAKYNMSJGPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13(2)15-6-8-16(9-7-15)17(21)20-18(12-19)10-4-5-14(3)11-18/h6-9,13-14H,4-5,10-12,19H2,1-3H3,(H,20,21).
What are the key properties of N-[1-(aminomethyl)-3-methylcyclohexyl]-4-propan-2-ylbenzamide?
N-[1-(aminomethyl)-3-methylcyclohexyl]-4-propan-2-ylbenzamide has a molecular weight of 288.44 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3-methylcyclohexyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 63756015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).