N-(3-aminopropyl)-N-(3-methylphenyl)cyclohexanecarboxamide

C17H26N2O — CID 28766909

IUPACN-(3-aminopropyl)-N-(3-methylphenyl)cyclohexanecarboxamide
SMILESCc1cccc(N(CCCN)C(=O)C2CCCCC2)c1
InChIInChI=1S/C17H26N2O/c1-14-7-5-10-16(13-14)19(12-6-11-18)17(20)15-8-3-2-4-9-15/h5,7,10,13,15H,2-4,6,8-9,11-12,18H2,1H3
InChIKeyMVAUUUTUUAYEGZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.26
Rot. Bonds5

About N-(3-aminopropyl)-N-(3-methylphenyl)cyclohexanecarboxamide

N-(3-aminopropyl)-N-(3-methylphenyl)cyclohexanecarboxamide (PubChem CID 28766909) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(3-methylphenyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(3-methylphenyl)cyclohexanecarboxamide
PubChem CID28766909
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(3-aminopropyl)-N-(3-methylphenyl)cyclohexanecarboxamide
SMILESCc1cccc(N(CCCN)C(=O)C2CCCCC2)c1
InChIInChI=1S/C17H26N2O/c1-14-7-5-10-16(13-14)19(12-6-11-18)17(20)15-8-3-2-4-9-15/h5,7,10,13,15H,2-4,6,8-9,11-12,18H2,1H3
InChIKeyMVAUUUTUUAYEGZ-UHFFFAOYSA-N
XLogP3.26
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide
CID 533210
N-(3-aminopropyl)-N-(4-methylphenyl)cyclobutanecarboxamide
CID 43135948
N-(3-aminopropyl)-5-methyl-N-(3-methylphenyl)oxolane-3-carboxamide
CID 114824116
N-(3-aminopropyl)-1-methyl-N-(3-methylphenyl)cyclohexane-1-carboxamide
CID 106825939
N-(3-aminopropyl)-N-(2-methylphenyl)cycloheptanecarboxamide
CID 62586297
N-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)propanamide
CID 28766915
N-(3-aminophenyl)-N-propylcyclohexanecarboxamide
CID 63229982
N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119311457
N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119311461
N-(3-aminopropyl)-2-methyl-N-(3-methylphenyl)benzamide
CID 28766933
N-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)butanamide
CID 62677230
N-(3-aminopropyl)-2-ethoxy-N-(3-methylphenyl)acetamide
CID 43135951

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(3-methylphenyl)cyclohexanecarboxamide?
The IUPAC name of N-(3-aminopropyl)-N-(3-methylphenyl)cyclohexanecarboxamide (CID 28766909) is N-(3-aminopropyl)-N-(3-methylphenyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(3-methylphenyl)cyclohexanecarboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-(3-methylphenyl)cyclohexanecarboxamide is Cc1cccc(N(CCCN)C(=O)C2CCCCC2)c1.
What is the InChIKey of N-(3-aminopropyl)-N-(3-methylphenyl)cyclohexanecarboxamide?
The InChIKey is MVAUUUTUUAYEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14-7-5-10-16(13-14)19(12-6-11-18)17(20)15-8-3-2-4-9-15/h5,7,10,13,15H,2-4,6,8-9,11-12,18H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-(3-methylphenyl)cyclohexanecarboxamide?
N-(3-aminopropyl)-N-(3-methylphenyl)cyclohexanecarboxamide has a molecular weight of 274.41 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(3-methylphenyl)cyclohexanecarboxamide is sourced from PubChem (CID 28766909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).