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

C18H28N2O — CID 106825939

IUPACN-(3-aminopropyl)-1-methyl-N-(3-methylphenyl)cyclohexane-1-carboxamide
SMILESCc1cccc(N(CCCN)C(=O)C2(C)CCCCC2)c1
InChIInChI=1S/C18H28N2O/c1-15-8-6-9-16(14-15)20(13-7-12-19)17(21)18(2)10-4-3-5-11-18/h6,8-9,14H,3-5,7,10-13,19H2,1-2H3
InChIKeyUFRIZVJZDZNEIZ-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.65
Rot. Bonds5

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

N-(3-aminopropyl)-1-methyl-N-(3-methylphenyl)cyclohexane-1-carboxamide (PubChem CID 106825939) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N-(3-aminopropyl)-1-methyl-N-(3-methylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-1-methyl-N-(3-methylphenyl)cyclohexane-1-carboxamide
PubChem CID106825939
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN-(3-aminopropyl)-1-methyl-N-(3-methylphenyl)cyclohexane-1-carboxamide
SMILESCc1cccc(N(CCCN)C(=O)C2(C)CCCCC2)c1
InChIInChI=1S/C18H28N2O/c1-15-8-6-9-16(14-15)20(13-7-12-19)17(21)18(2)10-4-3-5-11-18/h6,8-9,14H,3-5,7,10-13,19H2,1-2H3
InChIKeyUFRIZVJZDZNEIZ-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 ≤ 500288.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-1-methyl-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 106825938
N-(3-aminopropyl)-N-(3-methylphenyl)cyclohexanecarboxamide
CID 28766909
N-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)propanamide
CID 28766915
N-(3-aminopropyl)-2-methyl-N-(3-methylphenyl)benzamide
CID 28766933
N-(3-aminophenyl)-N-ethyl-1-methylcyclohexane-1-carboxamide
CID 106826094
N-(3-aminopropyl)-2-ethoxy-N-(3-methylphenyl)acetamide
CID 43135951
N-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)butanamide
CID 62677230
N-(3-aminopropyl)-3-fluoro-N-(3-methylphenyl)benzamide
CID 28766949
N-(3-aminopropyl)-2-methyl-N-(3-methylphenyl)furan-3-carboxamide
CID 43135957
N-(3-aminopropyl)-5-fluoro-N-(3-methylphenyl)pyridine-2-carboxamide
CID 104637909
N-(3-aminopropyl)-5-methyl-N-(3-methylphenyl)oxolane-3-carboxamide
CID 114824116
N-ethyl-2-methyl-N-(3-methylphenyl)piperidine-2-carboxamide
CID 104596534

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-1-methyl-N-(3-methylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(3-aminopropyl)-1-methyl-N-(3-methylphenyl)cyclohexane-1-carboxamide (CID 106825939) is N-(3-aminopropyl)-1-methyl-N-(3-methylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-1-methyl-N-(3-methylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-1-methyl-N-(3-methylphenyl)cyclohexane-1-carboxamide is Cc1cccc(N(CCCN)C(=O)C2(C)CCCCC2)c1.
What is the InChIKey of N-(3-aminopropyl)-1-methyl-N-(3-methylphenyl)cyclohexane-1-carboxamide?
The InChIKey is UFRIZVJZDZNEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-15-8-6-9-16(14-15)20(13-7-12-19)17(21)18(2)10-4-3-5-11-18/h6,8-9,14H,3-5,7,10-13,19H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-1-methyl-N-(3-methylphenyl)cyclohexane-1-carboxamide?
N-(3-aminopropyl)-1-methyl-N-(3-methylphenyl)cyclohexane-1-carboxamide has a molecular weight of 288.43 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-(3-methylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 106825939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).