N-[2-(aminomethyl)cyclohexyl]-1-cyclobutyl-N-methylpyrrole-2-carboxamide

C17H27N3O — CID 114610428

IUPACN-[2-(aminomethyl)cyclohexyl]-1-cyclobutyl-N-methylpyrrole-2-carboxamide
SMILESCN(C(=O)c1cccn1C1CCC1)C1CCCCC1CN
InChIInChI=1S/C17H27N3O/c1-19(15-9-3-2-6-13(15)12-18)17(21)16-10-5-11-20(16)14-7-4-8-14/h5,10-11,13-15H,2-4,6-9,12,18H2,1H3
InChIKeyDMFKXHOESPQELL-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.80
Rot. Bonds4

About N-[2-(aminomethyl)cyclohexyl]-1-cyclobutyl-N-methylpyrrole-2-carboxamide

N-[2-(aminomethyl)cyclohexyl]-1-cyclobutyl-N-methylpyrrole-2-carboxamide (PubChem CID 114610428) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-1-cyclobutyl-N-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-1-cyclobutyl-N-methylpyrrole-2-carboxamide
PubChem CID114610428
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-1-cyclobutyl-N-methylpyrrole-2-carboxamide
SMILESCN(C(=O)c1cccn1C1CCC1)C1CCCCC1CN
InChIInChI=1S/C17H27N3O/c1-19(15-9-3-2-6-13(15)12-18)17(21)16-10-5-11-20(16)14-7-4-8-14/h5,10-11,13-15H,2-4,6-9,12,18H2,1H3
InChIKeyDMFKXHOESPQELL-UHFFFAOYSA-N
XLogP2.80
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-1-cyclobutyl-N-methylpyrrole-2-carboxamide
CID 114610482
2-[(1-cyclobutylpyrrole-2-carbonyl)-methylamino]acetic acid
CID 114608607
N-[2-(aminomethyl)cyclohexyl]-N,1-dimethylpyrazole-3-carboxamide
CID 103120887
1-cyclopentyl-N-(2-hydroxypropyl)-N-propan-2-ylpyrrole-2-carboxamide
CID 110011714
2-[tert-butyl-(1-cyclobutylpyrrole-2-carbonyl)amino]acetic acid
CID 114608980
1-cyclohexylpyrrole-2-carboxamide
CID 150262171
1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide
CID 114609355
N-[2-(aminomethyl)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107015942
N-[2-(aminomethyl)cyclohexyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66121154
[2-(aminomethyl)piperidin-1-yl]-(1-cyclobutylpyrrol-2-yl)methanone
CID 114610133
N-[2-(aminomethyl)cyclohexyl]-5-fluoro-N-methylpyridine-2-carboxamide
CID 104639305
2-[(1-cyclopropylpyrrole-2-carbonyl)-methylamino]acetic acid
CID 43639286

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-1-cyclobutyl-N-methylpyrrole-2-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-1-cyclobutyl-N-methylpyrrole-2-carboxamide (CID 114610428) is N-[2-(aminomethyl)cyclohexyl]-1-cyclobutyl-N-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-1-cyclobutyl-N-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-1-cyclobutyl-N-methylpyrrole-2-carboxamide is CN(C(=O)c1cccn1C1CCC1)C1CCCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-1-cyclobutyl-N-methylpyrrole-2-carboxamide?
The InChIKey is DMFKXHOESPQELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-19(15-9-3-2-6-13(15)12-18)17(21)16-10-5-11-20(16)14-7-4-8-14/h5,10-11,13-15H,2-4,6-9,12,18H2,1H3.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-1-cyclobutyl-N-methylpyrrole-2-carboxamide?
N-[2-(aminomethyl)cyclohexyl]-1-cyclobutyl-N-methylpyrrole-2-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-1-cyclobutyl-N-methylpyrrole-2-carboxamide is sourced from PubChem (CID 114610428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).