N-(2-amino-4,4-dimethylpentyl)pyrrolidine-1-carboxamide

C12H25N3O — CID 107158894

IUPACN-(2-amino-4,4-dimethylpentyl)pyrrolidine-1-carboxamide
SMILESCC(C)(C)CC(N)CNC(=O)N1CCCC1
InChIInChI=1S/C12H25N3O/c1-12(2,3)8-10(13)9-14-11(16)15-6-4-5-7-15/h10H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyFXQMSCXCFBFERI-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.56
Rot. Bonds3

About N-(2-amino-4,4-dimethylpentyl)pyrrolidine-1-carboxamide

N-(2-amino-4,4-dimethylpentyl)pyrrolidine-1-carboxamide (PubChem CID 107158894) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(2-amino-4,4-dimethylpentyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4,4-dimethylpentyl)pyrrolidine-1-carboxamide
PubChem CID107158894
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN-(2-amino-4,4-dimethylpentyl)pyrrolidine-1-carboxamide
SMILESCC(C)(C)CC(N)CNC(=O)N1CCCC1
InChIInChI=1S/C12H25N3O/c1-12(2,3)8-10(13)9-14-11(16)15-6-4-5-7-15/h10H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyFXQMSCXCFBFERI-UHFFFAOYSA-N
XLogP1.56
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-amino-4,4-dimethylpentyl)pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3,3-trimethylbutyl)pyrrolidine-1-carboxamide
CID 115629639
[(2R)-2-amino-4,4-dimethylpentyl]carbamic acid
CID 87077916
N-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide
CID 110754954
N-(2-amino-3-hydroxybutyl)piperidine-1-carboxamide
CID 79154941
N-(2-amino-4,4-dimethylpentyl)-2,2-dimethylpropanamide
CID 107158412
N-(3-amino-2,2-dimethylpropyl)azepane-1-carboxamide
CID 115365844
N-(2-methylsulfanylpropyl)piperidine-1-carboxamide
CID 115760436
N-[2-(methylamino)propyl]pyrrolidine-1-carboxamide
CID 103512851
N-(2-amino-2-cyclopropylethyl)piperidine-1-carboxamide
CID 79154956
N-(2-hydroxy-2-methylpropyl)pyrrolidine-1-carboxamide
CID 78951144
3-(azocane-1-carbonylamino)-2-methylpropanoic acid
CID 62669756
3-(azepane-1-carbonylamino)-2-methylpropanoic acid
CID 62671321

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,4-dimethylpentyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-amino-4,4-dimethylpentyl)pyrrolidine-1-carboxamide (CID 107158894) is N-(2-amino-4,4-dimethylpentyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-amino-4,4-dimethylpentyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-amino-4,4-dimethylpentyl)pyrrolidine-1-carboxamide is CC(C)(C)CC(N)CNC(=O)N1CCCC1.
What is the InChIKey of N-(2-amino-4,4-dimethylpentyl)pyrrolidine-1-carboxamide?
The InChIKey is FXQMSCXCFBFERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-12(2,3)8-10(13)9-14-11(16)15-6-4-5-7-15/h10H,4-9,13H2,1-3H3,(H,14,16).
What are the key properties of N-(2-amino-4,4-dimethylpentyl)pyrrolidine-1-carboxamide?
N-(2-amino-4,4-dimethylpentyl)pyrrolidine-1-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,4-dimethylpentyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 107158894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).