2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanamide

C14H27N3O — CID 79184111

IUPAC2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanamide
SMILESCC1CN(CCC(C)(NC2CC2)C(N)=O)CC1C
InChIInChI=1S/C14H27N3O/c1-10-8-17(9-11(10)2)7-6-14(3,13(15)18)16-12-4-5-12/h10-12,16H,4-9H2,1-3H3,(H2,15,18)
InChIKeyHOKCHBNDGBTINJ-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.96
Rot. Bonds6

About 2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanamide

2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanamide (PubChem CID 79184111) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanamide
PubChem CID79184111
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanamide
SMILESCC1CN(CCC(C)(NC2CC2)C(N)=O)CC1C
InChIInChI=1S/C14H27N3O/c1-10-8-17(9-11(10)2)7-6-14(3,13(15)18)16-12-4-5-12/h10-12,16H,4-9H2,1-3H3,(H2,15,18)
InChIKeyHOKCHBNDGBTINJ-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanamide 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

methyl 2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanoate
CID 79184202
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(cyclopropylamino)-2-methylbutanamide
CID 79916763
2-(cyclopropylamino)-2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propanamide
CID 114539436
2-(cyclopropylamino)-5-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpentanamide
CID 63634892
2-(cyclopropylamino)-5-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpentanamide
CID 63165814
2-(cyclopropylamino)-6-(2,3-dimethylpiperidin-1-yl)-2-methylhexanamide
CID 62122902
2-(cyclopropylamino)-5-(1,3-dihydroisoindol-2-yl)-2-methylpentanamide
CID 62232161
2-(cyclopropylamino)-5-(3-methoxypiperidin-1-yl)-2-methylpentanamide
CID 102966587
2-(cyclopropylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylbutanoic acid
CID 102966377
2-(cyclopropylamino)-4-(4,5-dimethylimidazol-1-yl)-2-methylbutanamide
CID 62350813
2-(cyclopropylamino)-4-(3,4-dimethylcyclohexyl)oxy-2-methylbutanamide
CID 64744615
2-(cyclopropylamino)-2-methyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]pentanamide
CID 63210861

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanamide?
The IUPAC name of 2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanamide (CID 79184111) is 2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanamide.
What is the SMILES notation for 2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanamide?
The canonical SMILES for 2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanamide is CC1CN(CCC(C)(NC2CC2)C(N)=O)CC1C.
What is the InChIKey of 2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanamide?
The InChIKey is HOKCHBNDGBTINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-10-8-17(9-11(10)2)7-6-14(3,13(15)18)16-12-4-5-12/h10-12,16H,4-9H2,1-3H3,(H2,15,18).
What are the key properties of 2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanamide?
2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanamide has a molecular weight of 253.39 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanamide is sourced from PubChem (CID 79184111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).