4-methyl-N-[2-(propylamino)ethyl]cyclohexane-1-carboxamide

C13H26N2O — CID 115563516

IUPAC4-methyl-N-[2-(propylamino)ethyl]cyclohexane-1-carboxamide
SMILESCCCNCCNC(=O)C1CCC(C)CC1
InChIInChI=1S/C13H26N2O/c1-3-8-14-9-10-15-13(16)12-6-4-11(2)5-7-12/h11-12,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyXECOLIXGZBIUPN-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.93
Rot. Bonds6

About 4-methyl-N-[2-(propylamino)ethyl]cyclohexane-1-carboxamide

4-methyl-N-[2-(propylamino)ethyl]cyclohexane-1-carboxamide (PubChem CID 115563516) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-methyl-N-[2-(propylamino)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(propylamino)ethyl]cyclohexane-1-carboxamide
PubChem CID115563516
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name4-methyl-N-[2-(propylamino)ethyl]cyclohexane-1-carboxamide
SMILESCCCNCCNC(=O)C1CCC(C)CC1
InChIInChI=1S/C13H26N2O/c1-3-8-14-9-10-15-13(16)12-6-4-11(2)5-7-12/h11-12,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyXECOLIXGZBIUPN-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(propylamino)ethyl]cyclobutanecarboxamide
CID 62658991
4-methyl-N-[2-(propylamino)ethyl]piperidine-1-carboxamide
CID 79163549
N-(6-hydroxyhexyl)-4-methylcyclohexane-1-carboxamide
CID 113351776
ethane;N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylcyclohexane-1-carboxamide
CID 177357452
N-propylcyclooctanecarboxamide
CID 65022755
4-N-cyclopropyl-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144255
N-[2-[[(1S,3R)-3-methylcyclopentyl]amino]ethyl]cyclopropanecarboxamide
CID 97357833
N-[2-[[(2S)-2-methylbutyl]amino]ethyl]cyclopropanecarboxamide
CID 97095660
N-propylcyclohexanecarboxamide;hydrochloride
CID 174790388
N-[2-[[N-ethyl-N'-[(4-methylcyclohexyl)methyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111928434
4-N-(3-methylbutyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144333
4-N-(2-methylpropyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144258

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(propylamino)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-methyl-N-[2-(propylamino)ethyl]cyclohexane-1-carboxamide (CID 115563516) is 4-methyl-N-[2-(propylamino)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(propylamino)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(propylamino)ethyl]cyclohexane-1-carboxamide is CCCNCCNC(=O)C1CCC(C)CC1.
What is the InChIKey of 4-methyl-N-[2-(propylamino)ethyl]cyclohexane-1-carboxamide?
The InChIKey is XECOLIXGZBIUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-8-14-9-10-15-13(16)12-6-4-11(2)5-7-12/h11-12,14H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-N-[2-(propylamino)ethyl]cyclohexane-1-carboxamide?
4-methyl-N-[2-(propylamino)ethyl]cyclohexane-1-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(propylamino)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 115563516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).