N-[(4-aminophenyl)methyl]-1-methyl-N-propylcyclohexane-1-carboxamide

C18H28N2O — CID 106826043

IUPACN-[(4-aminophenyl)methyl]-1-methyl-N-propylcyclohexane-1-carboxamide
SMILESCCCN(Cc1ccc(N)cc1)C(=O)C1(C)CCCCC1
InChIInChI=1S/C18H28N2O/c1-3-13-20(14-15-7-9-16(19)10-8-15)17(21)18(2)11-5-4-6-12-18/h7-10H,3-6,11-14,19H2,1-2H3
InChIKeyBSQQSSYSHHGDSE-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.98
Rot. Bonds5

About N-[(4-aminophenyl)methyl]-1-methyl-N-propylcyclohexane-1-carboxamide

N-[(4-aminophenyl)methyl]-1-methyl-N-propylcyclohexane-1-carboxamide (PubChem CID 106826043) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-1-methyl-N-propylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-1-methyl-N-propylcyclohexane-1-carboxamide
PubChem CID106826043
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN-[(4-aminophenyl)methyl]-1-methyl-N-propylcyclohexane-1-carboxamide
SMILESCCCN(Cc1ccc(N)cc1)C(=O)C1(C)CCCCC1
InChIInChI=1S/C18H28N2O/c1-3-13-20(14-15-7-9-16(19)10-8-15)17(21)18(2)11-5-4-6-12-18/h7-10H,3-6,11-14,19H2,1-2H3
InChIKeyBSQQSSYSHHGDSE-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-3-methyl-N-propylpiperidine-3-carboxamide
CID 63130370
N-[(4-aminophenyl)methyl]-2-methyl-N-propylpropanamide
CID 43459453
ethyl N-[(4-aminophenyl)methyl]-N-propylcarbamate
CID 43459532
N-[(4-aminophenyl)methyl]-2-cyclobutyl-N-propylacetamide
CID 103161528
N-[(4-cyanophenyl)methyl]-3-methyl-N-propylpyrrolidine-3-carboxamide
CID 63143620
N-[(4-aminophenyl)methyl]-3-methoxy-N-propylpropanamide
CID 55091685
N-[(4-aminophenyl)methyl]-5-methyl-N-propylfuran-2-carboxamide
CID 43459468
1-amino-N-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide
CID 65466399
4-[[methyl(propyl)amino]methyl]aniline
CID 23506800
N-[(4-aminophenyl)methyl]-2-ethyl-N-propylhexanamide
CID 43459457
N-[(5-amino-2-chlorophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide
CID 106826067
N-[4-(aminomethyl)phenyl]-N-ethyl-1-methylcyclohexane-1-carboxamide
CID 106825964

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-1-methyl-N-propylcyclohexane-1-carboxamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-1-methyl-N-propylcyclohexane-1-carboxamide (CID 106826043) is N-[(4-aminophenyl)methyl]-1-methyl-N-propylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-1-methyl-N-propylcyclohexane-1-carboxamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-1-methyl-N-propylcyclohexane-1-carboxamide is CCCN(Cc1ccc(N)cc1)C(=O)C1(C)CCCCC1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-1-methyl-N-propylcyclohexane-1-carboxamide?
The InChIKey is BSQQSSYSHHGDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-13-20(14-15-7-9-16(19)10-8-15)17(21)18(2)11-5-4-6-12-18/h7-10H,3-6,11-14,19H2,1-2H3.
What are the key properties of N-[(4-aminophenyl)methyl]-1-methyl-N-propylcyclohexane-1-carboxamide?
N-[(4-aminophenyl)methyl]-1-methyl-N-propylcyclohexane-1-carboxamide has a molecular weight of 288.43 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-1-methyl-N-propylcyclohexane-1-carboxamide is sourced from PubChem (CID 106826043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).