2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-butan-2-ylpropanamide

C13H27N3O — CID 116652512

IUPAC2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)N(C)C(CN)C1CC1
InChIInChI=1S/C13H27N3O/c1-5-9(2)15-13(17)10(3)16(4)12(8-14)11-6-7-11/h9-12H,5-8,14H2,1-4H3,(H,15,17)
InChIKeyGOPDDPFKXHRQCG-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.96
Rot. Bonds7

About 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-butan-2-ylpropanamide

2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-butan-2-ylpropanamide (PubChem CID 116652512) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-butan-2-ylpropanamide
PubChem CID116652512
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)N(C)C(CN)C1CC1
InChIInChI=1S/C13H27N3O/c1-5-9(2)15-13(17)10(3)16(4)12(8-14)11-6-7-11/h9-12H,5-8,14H2,1-4H3,(H,15,17)
InChIKeyGOPDDPFKXHRQCG-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-butan-2-ylpropanamide 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

2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(methylcarbamoyl)propanamide
CID 116652580
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-phenylpropanamide
CID 116653105
2-[(2-amino-1-cyclopropylethyl)-methylamino]butanamide
CID 116653046
1-cyclopropyl-N-methyl-N-propan-2-ylethane-1,2-diamine
CID 43654990
1-cyclopropyl-N-methyl-N-(2-methylpentan-3-yl)ethane-1,2-diamine
CID 116651334
1-cyclopropyl-N-(1-cyclopropylpropan-2-yl)-N-methylethane-1,2-diamine
CID 116651488
1-cyclopropyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112658627
2-[(3-amino-4-methylpentyl)-methylamino]-N-butan-2-ylpropanamide
CID 81491323
1-(2-amino-1-cyclopropylethyl)-1,3,3-trimethylurea
CID 116652099
2-[azetidin-3-yl(ethyl)amino]-N-butan-2-ylpropanamide
CID 66181522
N-[(2R)-butan-2-yl]-2-methylbutanamide
CID 88542995
N-butan-2-yl-2-[piperidin-4-yl(propyl)amino]propanamide
CID 60807515

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-butan-2-ylpropanamide?
The IUPAC name of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-butan-2-ylpropanamide (CID 116652512) is 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-butan-2-ylpropanamide.
What is the SMILES notation for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-butan-2-ylpropanamide?
The canonical SMILES for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-butan-2-ylpropanamide is CCC(C)NC(=O)C(C)N(C)C(CN)C1CC1.
What is the InChIKey of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-butan-2-ylpropanamide?
The InChIKey is GOPDDPFKXHRQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-5-9(2)15-13(17)10(3)16(4)12(8-14)11-6-7-11/h9-12H,5-8,14H2,1-4H3,(H,15,17).
What are the key properties of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-butan-2-ylpropanamide?
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-butan-2-ylpropanamide has a molecular weight of 241.38 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-butan-2-ylpropanamide is sourced from PubChem (CID 116652512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).