N-(3-aminopropyl)-1-methyl-N-(4-methylphenyl)cyclohexane-1-carboxamide

C18H28N2O — CID 106825938

IUPACN-(3-aminopropyl)-1-methyl-N-(4-methylphenyl)cyclohexane-1-carboxamide
SMILESCc1ccc(N(CCCN)C(=O)C2(C)CCCCC2)cc1
InChIInChI=1S/C18H28N2O/c1-15-7-9-16(10-8-15)20(14-6-13-19)17(21)18(2)11-4-3-5-12-18/h7-10H,3-6,11-14,19H2,1-2H3
InChIKeyVFQFQUYVDUJFKN-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.65
Rot. Bonds5

About N-(3-aminopropyl)-1-methyl-N-(4-methylphenyl)cyclohexane-1-carboxamide

N-(3-aminopropyl)-1-methyl-N-(4-methylphenyl)cyclohexane-1-carboxamide (PubChem CID 106825938) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-(3-aminopropyl)-1-methyl-N-(4-methylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-1-methyl-N-(4-methylphenyl)cyclohexane-1-carboxamide
PubChem CID106825938
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-(3-aminopropyl)-1-methyl-N-(4-methylphenyl)cyclohexane-1-carboxamide
SMILESCc1ccc(N(CCCN)C(=O)C2(C)CCCCC2)cc1
InChIInChI=1S/C18H28N2O/c1-15-7-9-16(10-8-15)20(14-6-13-19)17(21)18(2)11-4-3-5-12-18/h7-10H,3-6,11-14,19H2,1-2H3
InChIKeyVFQFQUYVDUJFKN-UHFFFAOYSA-N
XLogP3.65
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-1-methyl-N-(3-methylphenyl)cyclohexane-1-carboxamide
CID 106825939
N-[4-(aminomethyl)phenyl]-N-ethyl-1-methylcyclohexane-1-carboxamide
CID 106825964
N-(3-aminopropyl)-N-(4-methylphenyl)cyclobutanecarboxamide
CID 43135948
N-(3-aminopropyl)-2-methyl-N-(4-methylphenyl)cyclopentane-1-carboxamide
CID 107174469
N-(3-aminopropyl)-5-methyl-N-(4-methylphenyl)furan-2-carboxamide
CID 43135941
1-(3-aminopropyl)-3-butyl-1-(4-methylphenyl)urea
CID 43318692
2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(4-methylphenyl)acetamide
CID 104678097
2-[N-(3-aminopropyl)-4-methylanilino]acetic acid
CID 63654241
N-(3-aminopropyl)-N-(3-methylphenyl)cyclohexanecarboxamide
CID 28766909
N-(3-aminophenyl)-N-ethyl-1-methylcyclohexane-1-carboxamide
CID 106826094
2-(2-amino-N-(1-methylcyclohexanecarbonyl)anilino)acetic acid
CID 106826093
1-(3-aminopropyl)-1-(2,5-dimethylphenyl)urea
CID 82392337

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-1-methyl-N-(4-methylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(3-aminopropyl)-1-methyl-N-(4-methylphenyl)cyclohexane-1-carboxamide (CID 106825938) is N-(3-aminopropyl)-1-methyl-N-(4-methylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-1-methyl-N-(4-methylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-1-methyl-N-(4-methylphenyl)cyclohexane-1-carboxamide is Cc1ccc(N(CCCN)C(=O)C2(C)CCCCC2)cc1.
What is the InChIKey of N-(3-aminopropyl)-1-methyl-N-(4-methylphenyl)cyclohexane-1-carboxamide?
The InChIKey is VFQFQUYVDUJFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-15-7-9-16(10-8-15)20(14-6-13-19)17(21)18(2)11-4-3-5-12-18/h7-10H,3-6,11-14,19H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-1-methyl-N-(4-methylphenyl)cyclohexane-1-carboxamide?
N-(3-aminopropyl)-1-methyl-N-(4-methylphenyl)cyclohexane-1-carboxamide has a molecular weight of 288.44 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-1-methyl-N-(4-methylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 106825938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).