N-[1-(aminomethyl)cyclopentyl]-1-cyclobutylpyrrole-2-carboxamide

C15H23N3O — CID 114610311

IUPACN-[1-(aminomethyl)cyclopentyl]-1-cyclobutylpyrrole-2-carboxamide
SMILESNCC1(NC(=O)c2cccn2C2CCC2)CCCC1
InChIInChI=1S/C15H23N3O/c16-11-15(8-1-2-9-15)17-14(19)13-7-4-10-18(13)12-5-3-6-12/h4,7,10,12H,1-3,5-6,8-9,11,16H2,(H,17,19)
InChIKeyUHKGVHSDSLFVBB-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.21
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-1-cyclobutylpyrrole-2-carboxamide

N-[1-(aminomethyl)cyclopentyl]-1-cyclobutylpyrrole-2-carboxamide (PubChem CID 114610311) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-1-cyclobutylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-1-cyclobutylpyrrole-2-carboxamide
PubChem CID114610311
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-1-cyclobutylpyrrole-2-carboxamide
SMILESNCC1(NC(=O)c2cccn2C2CCC2)CCCC1
InChIInChI=1S/C15H23N3O/c16-11-15(8-1-2-9-15)17-14(19)13-7-4-10-18(13)12-5-3-6-12/h4,7,10,12H,1-3,5-6,8-9,11,16H2,(H,17,19)
InChIKeyUHKGVHSDSLFVBB-UHFFFAOYSA-N
XLogP2.21
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-N-[1-(hydroxymethyl)-3-methylcyclohexyl]pyrrole-2-carboxamide
CID 114609576
1-cyclobutyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrole-2-carboxamide
CID 114609745
1-cyclobutyl-N-[(1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide
CID 114609636
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1-cyclobutylpyrrole-2-carboxamide
CID 114610515
N-[2-(aminomethyl)phenyl]-1-cyclobutylpyrrole-2-carboxamide
CID 114610369
methyl 2-[(1-cyclobutylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate
CID 114610705
1-cyclobutyl-N-(2-cyclopropyl-2-hydroxyethyl)pyrrole-2-carboxamide
CID 114609590
1-cyclopropyl-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrrole-2-carboxamide
CID 122561755
1-cyclobutyl-N-(2-hydroxy-2-methylbutyl)pyrrole-2-carboxamide
CID 114609625
N-(2-amino-2-methylpropyl)-1-cyclopropylpyrrole-2-carboxamide
CID 115303317
1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]pyrrole-2-carboxamide
CID 114609401
methyl 1-cyclobutylpyrrole-2-carboxylate
CID 114609410

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1-cyclobutylpyrrole-2-carboxamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1-cyclobutylpyrrole-2-carboxamide (CID 114610311) is N-[1-(aminomethyl)cyclopentyl]-1-cyclobutylpyrrole-2-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-1-cyclobutylpyrrole-2-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-1-cyclobutylpyrrole-2-carboxamide is NCC1(NC(=O)c2cccn2C2CCC2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-1-cyclobutylpyrrole-2-carboxamide?
The InChIKey is UHKGVHSDSLFVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c16-11-15(8-1-2-9-15)17-14(19)13-7-4-10-18(13)12-5-3-6-12/h4,7,10,12H,1-3,5-6,8-9,11,16H2,(H,17,19).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-1-cyclobutylpyrrole-2-carboxamide?
N-[1-(aminomethyl)cyclopentyl]-1-cyclobutylpyrrole-2-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-1-cyclobutylpyrrole-2-carboxamide is sourced from PubChem (CID 114610311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).