2-(cyclopropylamino)-4-[ethyl(2-methylpropyl)amino]butanamide

C13H27N3O — CID 55143527

IUPAC2-(cyclopropylamino)-4-[ethyl(2-methylpropyl)amino]butanamide
SMILESCCN(CCC(NC1CC1)C(N)=O)CC(C)C
InChIInChI=1S/C13H27N3O/c1-4-16(9-10(2)3)8-7-12(13(14)17)15-11-5-6-11/h10-12,15H,4-9H2,1-3H3,(H2,14,17)
InChIKeyBHLVMCVXSVLVCM-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.96
Rot. Bonds9

About 2-(cyclopropylamino)-4-[ethyl(2-methylpropyl)amino]butanamide

2-(cyclopropylamino)-4-[ethyl(2-methylpropyl)amino]butanamide (PubChem CID 55143527) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-[ethyl(2-methylpropyl)amino]butanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-[ethyl(2-methylpropyl)amino]butanamide
PubChem CID55143527
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-(cyclopropylamino)-4-[ethyl(2-methylpropyl)amino]butanamide
SMILESCCN(CCC(NC1CC1)C(N)=O)CC(C)C
InChIInChI=1S/C13H27N3O/c1-4-16(9-10(2)3)8-7-12(13(14)17)15-11-5-6-11/h10-12,15H,4-9H2,1-3H3,(H2,14,17)
InChIKeyBHLVMCVXSVLVCM-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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

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Related Compounds

2-(cyclopropylamino)-4-[2-methoxyethyl(2-methylpropyl)amino]butanamide
CID 63055154
4-[ethyl(2-methylpropyl)amino]-2-(methylamino)butanamide
CID 63028616
2-(cyclopropylamino)-3-[2-ethoxyethyl(ethyl)amino]propanamide
CID 63691582
2-(cyclopropylamino)-4-[1-methoxypropan-2-yl(methyl)amino]butanamide
CID 63053045
methyl 4-[ethyl(2-methylpropyl)amino]-2-(methylamino)butanoate
CID 63029585
2-(cyclopropylamino)-5-(methylamino)hexanediamide
CID 66221949
2-(cyclopropylamino)-4-[2,2-dimethylpropyl(methyl)amino]butanamide
CID 63052904
methyl 2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]butanoate
CID 63028809
2-(cyclopropylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butanamide
CID 63055288
methyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)butanoate
CID 107401182
4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(methylamino)butanamide
CID 63053033
2-(cyclopropylamino)-4-(N-ethyl-2-methylanilino)butanamide
CID 63029106

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-[ethyl(2-methylpropyl)amino]butanamide?
The IUPAC name of 2-(cyclopropylamino)-4-[ethyl(2-methylpropyl)amino]butanamide (CID 55143527) is 2-(cyclopropylamino)-4-[ethyl(2-methylpropyl)amino]butanamide.
What is the SMILES notation for 2-(cyclopropylamino)-4-[ethyl(2-methylpropyl)amino]butanamide?
The canonical SMILES for 2-(cyclopropylamino)-4-[ethyl(2-methylpropyl)amino]butanamide is CCN(CCC(NC1CC1)C(N)=O)CC(C)C.
What is the InChIKey of 2-(cyclopropylamino)-4-[ethyl(2-methylpropyl)amino]butanamide?
The InChIKey is BHLVMCVXSVLVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-16(9-10(2)3)8-7-12(13(14)17)15-11-5-6-11/h10-12,15H,4-9H2,1-3H3,(H2,14,17).
What are the key properties of 2-(cyclopropylamino)-4-[ethyl(2-methylpropyl)amino]butanamide?
2-(cyclopropylamino)-4-[ethyl(2-methylpropyl)amino]butanamide has a molecular weight of 241.38 g/mol, XLogP of 0.96, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-[ethyl(2-methylpropyl)amino]butanamide is sourced from PubChem (CID 55143527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).