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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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).