2-amino-N-(4-cyanobutyl)-1-methylcyclopentane-1-carboxamide

C12H21N3O — CID 82768534

IUPAC2-amino-N-(4-cyanobutyl)-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)NCCCCC#N)CCCC1N
InChIInChI=1S/C12H21N3O/c1-12(7-5-6-10(12)14)11(16)15-9-4-2-3-8-13/h10H,2-7,9,14H2,1H3,(H,15,16)
InChIKeyOBKIMOOQSSLBOW-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.31
Rot. Bonds5

About 2-amino-N-(4-cyanobutyl)-1-methylcyclopentane-1-carboxamide

2-amino-N-(4-cyanobutyl)-1-methylcyclopentane-1-carboxamide (PubChem CID 82768534) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-amino-N-(4-cyanobutyl)-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-cyanobutyl)-1-methylcyclopentane-1-carboxamide
PubChem CID82768534
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-amino-N-(4-cyanobutyl)-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)NCCCCC#N)CCCC1N
InChIInChI=1S/C12H21N3O/c1-12(7-5-6-10(12)14)11(16)15-9-4-2-3-8-13/h10H,2-7,9,14H2,1H3,(H,15,16)
InChIKeyOBKIMOOQSSLBOW-UHFFFAOYSA-N
XLogP1.31
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,11R)-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199279
(1S,11R)-2-propanoyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199282
(1S,11R)-2-acetyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199285
1-ethyl-N-[3-(methylamino)propyl]cyclopentane-1-carboxamide
CID 80262233
methyl (3S)-3-[(1-cyanocyclopentanecarbonyl)amino]butanoate
CID 96546829
2-amino-1-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 82765127
2-amino-N-(2,2-difluoroethyl)-1-methylcyclopentane-1-carboxamide
CID 82767383
2-amino-1-methyl-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide
CID 82767800
2-amino-1-methyl-N-(4,4,4-trifluorobutyl)cyclopentane-1-carboxamide
CID 82768103
2-amino-1-methyl-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide
CID 82768104
1-cyano-N-(4,4,4-trifluorobutan-2-yl)cyclopentane-1-carboxamide
CID 104854889
2-amino-1-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclopentane-1-carboxamide
CID 106291826

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-cyanobutyl)-1-methylcyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-(4-cyanobutyl)-1-methylcyclopentane-1-carboxamide (CID 82768534) is 2-amino-N-(4-cyanobutyl)-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(4-cyanobutyl)-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-(4-cyanobutyl)-1-methylcyclopentane-1-carboxamide is CC1(C(=O)NCCCCC#N)CCCC1N.
What is the InChIKey of 2-amino-N-(4-cyanobutyl)-1-methylcyclopentane-1-carboxamide?
The InChIKey is OBKIMOOQSSLBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-12(7-5-6-10(12)14)11(16)15-9-4-2-3-8-13/h10H,2-7,9,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-N-(4-cyanobutyl)-1-methylcyclopentane-1-carboxamide?
2-amino-N-(4-cyanobutyl)-1-methylcyclopentane-1-carboxamide has a molecular weight of 223.32 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-cyanobutyl)-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 82768534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).