1-amino-3-methyl-N-(2-pyrrol-1-ylethyl)cyclohexane-1-carboxamide

C14H23N3O — CID 106390906

IUPAC1-amino-3-methyl-N-(2-pyrrol-1-ylethyl)cyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)NCCn2cccc2)C1
InChIInChI=1S/C14H23N3O/c1-12-5-4-6-14(15,11-12)13(18)16-7-10-17-8-2-3-9-17/h2-3,8-9,12H,4-7,10-11,15H2,1H3,(H,16,18)
InChIKeyUKNJIWPVIIGSMI-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.51
Rot. Bonds4

About 1-amino-3-methyl-N-(2-pyrrol-1-ylethyl)cyclohexane-1-carboxamide

1-amino-3-methyl-N-(2-pyrrol-1-ylethyl)cyclohexane-1-carboxamide (PubChem CID 106390906) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-amino-3-methyl-N-(2-pyrrol-1-ylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-methyl-N-(2-pyrrol-1-ylethyl)cyclohexane-1-carboxamide
PubChem CID106390906
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-amino-3-methyl-N-(2-pyrrol-1-ylethyl)cyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)NCCn2cccc2)C1
InChIInChI=1S/C14H23N3O/c1-12-5-4-6-14(15,11-12)13(18)16-7-10-17-8-2-3-9-17/h2-3,8-9,12H,4-7,10-11,15H2,1H3,(H,16,18)
InChIKeyUKNJIWPVIIGSMI-UHFFFAOYSA-N
XLogP1.51
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexane-1-carboxamide
CID 112701607
1-amino-N-(4-imidazol-1-ylbutyl)-3-methylcyclohexane-1-carboxamide
CID 64552335
1-amino-3-methyl-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
CID 64548791
1-amino-3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 106105095
1-amino-N-ethyl-3-methylcyclohexane-1-carboxamide
CID 64549188
1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methylcyclohexane-1-carboxamide
CID 115738026
1-amino-3-methyl-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide
CID 64552119
4-[(1-amino-3-methylcyclohexanecarbonyl)amino]butanoic acid
CID 64555264
1-amino-N-(3-cyclopentylpropyl)-3-methylcyclohexane-1-carboxamide
CID 103809043
1-[[(1-amino-3-methylcyclohexanecarbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312279
1-amino-N-hydroxy-3-methylcyclohexane-1-carboxamide
CID 64555298
1-amino-N-(cyclobutylmethyl)-3-methylcyclohexane-1-carboxamide
CID 64550637

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-methyl-N-(2-pyrrol-1-ylethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-3-methyl-N-(2-pyrrol-1-ylethyl)cyclohexane-1-carboxamide (CID 106390906) is 1-amino-3-methyl-N-(2-pyrrol-1-ylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-3-methyl-N-(2-pyrrol-1-ylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-3-methyl-N-(2-pyrrol-1-ylethyl)cyclohexane-1-carboxamide is CC1CCCC(N)(C(=O)NCCn2cccc2)C1.
What is the InChIKey of 1-amino-3-methyl-N-(2-pyrrol-1-ylethyl)cyclohexane-1-carboxamide?
The InChIKey is UKNJIWPVIIGSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-12-5-4-6-14(15,11-12)13(18)16-7-10-17-8-2-3-9-17/h2-3,8-9,12H,4-7,10-11,15H2,1H3,(H,16,18).
What are the key properties of 1-amino-3-methyl-N-(2-pyrrol-1-ylethyl)cyclohexane-1-carboxamide?
1-amino-3-methyl-N-(2-pyrrol-1-ylethyl)cyclohexane-1-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-methyl-N-(2-pyrrol-1-ylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 106390906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).