2-amino-3-[benzyl(cyclopropyl)amino]propanamide

C13H19N3O — CID 131050094

IUPAC2-amino-3-[benzyl(cyclopropyl)amino]propanamide
SMILESNC(=O)C(N)CN(Cc1ccccc1)C1CC1
InChIInChI=1S/C13H19N3O/c14-12(13(15)17)9-16(11-6-7-11)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9,14H2,(H2,15,17)
InChIKeyYSFBFICJZMMPBJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.46
Rot. Bonds6

About 2-amino-3-[benzyl(cyclopropyl)amino]propanamide

2-amino-3-[benzyl(cyclopropyl)amino]propanamide (PubChem CID 131050094) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-amino-3-[benzyl(cyclopropyl)amino]propanamide.

Molecular Properties

Compound Name2-amino-3-[benzyl(cyclopropyl)amino]propanamide
PubChem CID131050094
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-amino-3-[benzyl(cyclopropyl)amino]propanamide
SMILESNC(=O)C(N)CN(Cc1ccccc1)C1CC1
InChIInChI=1S/C13H19N3O/c14-12(13(15)17)9-16(11-6-7-11)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9,14H2,(H2,15,17)
InChIKeyYSFBFICJZMMPBJ-UHFFFAOYSA-N
XLogP0.46
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-benzyl-N'-cyclopropyl-2-methylpropane-1,3-diamine
CID 43575852
(R)-cyclopropyl-[4-(dibenzylamino)cyclohexyl]methanol
CID 59401599
N,N-dibenzylcyclobutanamine
CID 70822586
N-[[4-(aminomethyl)phenyl]methyl]-N-benzylcyclopropanamine
CID 43575847
2-amino-1-[4-[[benzyl(cyclopropyl)amino]methyl]piperidin-1-yl]propan-1-one
CID 77144164
(1S)-1-[4-(dibenzylamino)cyclohexyl]ethanol
CID 155786495
3-(dibenzylamino)cyclopentane-1-carboxylic acid
CID 67068353
3-[[cyclopropyl(2,2-difluoroethyl)amino]methyl]benzoic acid
CID 122029039
[4-(dibenzylamino)cyclohexyl] benzoate
CID 58137959
4-[[cyclopropyl(2-methylpropyl)amino]methyl]benzoic acid;hydrochloride
CID 138805610
2-amino-1-[2-[[benzyl(cyclopropyl)amino]methyl]pyrrolidin-1-yl]propan-1-one
CID 77144158
2-[[benzyl(cyclopropyl)amino]methyl]aniline
CID 43460969

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[benzyl(cyclopropyl)amino]propanamide?
The IUPAC name of 2-amino-3-[benzyl(cyclopropyl)amino]propanamide (CID 131050094) is 2-amino-3-[benzyl(cyclopropyl)amino]propanamide.
What is the SMILES notation for 2-amino-3-[benzyl(cyclopropyl)amino]propanamide?
The canonical SMILES for 2-amino-3-[benzyl(cyclopropyl)amino]propanamide is NC(=O)C(N)CN(Cc1ccccc1)C1CC1.
What is the InChIKey of 2-amino-3-[benzyl(cyclopropyl)amino]propanamide?
The InChIKey is YSFBFICJZMMPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-12(13(15)17)9-16(11-6-7-11)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9,14H2,(H2,15,17).
What are the key properties of 2-amino-3-[benzyl(cyclopropyl)amino]propanamide?
2-amino-3-[benzyl(cyclopropyl)amino]propanamide has a molecular weight of 233.31 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[benzyl(cyclopropyl)amino]propanamide is sourced from PubChem (CID 131050094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).