2-(cyclopropylmethylamino)-N',N'-diethylbutanediamide

C12H23N3O2 — CID 66430872

IUPAC2-(cyclopropylmethylamino)-N',N'-diethylbutanediamide
SMILESCCN(CC)C(=O)CC(NCC1CC1)C(N)=O
InChIInChI=1S/C12H23N3O2/c1-3-15(4-2)11(16)7-10(12(13)17)14-8-9-5-6-9/h9-10,14H,3-8H2,1-2H3,(H2,13,17)
InChIKeySBYVCIWBYGCYLW-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.10
Rot. Bonds8

About 2-(cyclopropylmethylamino)-N',N'-diethylbutanediamide

2-(cyclopropylmethylamino)-N',N'-diethylbutanediamide (PubChem CID 66430872) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N',N'-diethylbutanediamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N',N'-diethylbutanediamide
PubChem CID66430872
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-(cyclopropylmethylamino)-N',N'-diethylbutanediamide
SMILESCCN(CC)C(=O)CC(NCC1CC1)C(N)=O
InChIInChI=1S/C12H23N3O2/c1-3-15(4-2)11(16)7-10(12(13)17)14-8-9-5-6-9/h9-10,14H,3-8H2,1-2H3,(H2,13,17)
InChIKeySBYVCIWBYGCYLW-UHFFFAOYSA-N
XLogP0.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(cyclopropylmethylamino)-N',N'-diethylbutanediamide 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',N'-diethyl-2-(methylamino)butanediamide
CID 12695982
2-[(4-ethylcyclohexyl)methylamino]butanamide
CID 62901748
methyl 4-(diethylamino)-2-methyl-4-oxobutanoate
CID 66561990
methyl 2-(cyclopropylmethylamino)butanoate
CID 61001350
methyl (2R)-2-(cyclopropylmethylamino)butanoate
CID 67121985
2-[(3-hydroxycyclopentyl)methylamino]butanamide
CID 106129414
tert-butyl N-[3-amino-2-(cyclopropylmethylamino)-3-oxopropyl]-N-tert-butylcarbamate
CID 107446412
3-amino-N-(cyclopropylmethyl)-N-ethylbutanamide
CID 63954762
methyl 2-(cyclopropylmethylamino)propanoate
CID 60780744
2-(thiolan-3-ylmethylamino)butanamide
CID 107295791
2-(cycloheptylmethylamino)-N,N-diethylacetamide
CID 113253458
5-(diethylamino)-3-methoxycarbonyl-5-oxopentanoic acid
CID 118378502

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N',N'-diethylbutanediamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N',N'-diethylbutanediamide (CID 66430872) is 2-(cyclopropylmethylamino)-N',N'-diethylbutanediamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N',N'-diethylbutanediamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N',N'-diethylbutanediamide is CCN(CC)C(=O)CC(NCC1CC1)C(N)=O.
What is the InChIKey of 2-(cyclopropylmethylamino)-N',N'-diethylbutanediamide?
The InChIKey is SBYVCIWBYGCYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-3-15(4-2)11(16)7-10(12(13)17)14-8-9-5-6-9/h9-10,14H,3-8H2,1-2H3,(H2,13,17).
What are the key properties of 2-(cyclopropylmethylamino)-N',N'-diethylbutanediamide?
2-(cyclopropylmethylamino)-N',N'-diethylbutanediamide has a molecular weight of 241.33 g/mol, XLogP of 0.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N',N'-diethylbutanediamide is sourced from PubChem (CID 66430872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).