2-cyclopropyl-3-[methyl(propan-2-yl)amino]-2-(propylamino)propanamide

C13H27N3O — CID 63907693

IUPAC2-cyclopropyl-3-[methyl(propan-2-yl)amino]-2-(propylamino)propanamide
SMILESCCCNC(CN(C)C(C)C)(C(N)=O)C1CC1
InChIInChI=1S/C13H27N3O/c1-5-8-15-13(12(14)17,11-6-7-11)9-16(4)10(2)3/h10-11,15H,5-9H2,1-4H3,(H2,14,17)
InChIKeyYZMFQSPBKYKHBO-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.96
Rot. Bonds8

About 2-cyclopropyl-3-[methyl(propan-2-yl)amino]-2-(propylamino)propanamide

2-cyclopropyl-3-[methyl(propan-2-yl)amino]-2-(propylamino)propanamide (PubChem CID 63907693) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-cyclopropyl-3-[methyl(propan-2-yl)amino]-2-(propylamino)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-3-[methyl(propan-2-yl)amino]-2-(propylamino)propanamide
PubChem CID63907693
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-cyclopropyl-3-[methyl(propan-2-yl)amino]-2-(propylamino)propanamide
SMILESCCCNC(CN(C)C(C)C)(C(N)=O)C1CC1
InChIInChI=1S/C13H27N3O/c1-5-8-15-13(12(14)17,11-6-7-11)9-16(4)10(2)3/h10-11,15H,5-9H2,1-4H3,(H2,14,17)
InChIKeyYZMFQSPBKYKHBO-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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-cyclopropyl-2-(ethylamino)-3-[methyl(propan-2-yl)amino]propanamide
CID 63907689
2-cyclopropyl-2-(methylamino)-3-[methyl(propan-2-yl)amino]propanamide
CID 63908080
2-cyclopropyl-3-[2,2-dimethylpropyl(methyl)amino]-2-(propylamino)propanamide
CID 63909203
2-cyclopropyl-3-[ethyl(2-methylpropyl)amino]-2-(propylamino)propanamide
CID 63908718
3-[cyclobutylmethyl(methyl)amino]-2-cyclopropyl-2-(propylamino)propanamide
CID 63925000
2-cyclopropyl-3-[ethyl(2-ethylbutyl)amino]-2-(propylamino)propanamide
CID 63910757
2-cyclopropyl-3-[1-methoxypropan-2-yl(methyl)amino]-2-(propylamino)propanoic acid
CID 63910353
2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanamide
CID 63921417
2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)propanoic acid
CID 63909146
2-cyclopropyl-3-[methyl(4-methylpentan-2-yl)amino]-2-(propylamino)propanoic acid
CID 63922289
ethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propylamino)propanoate
CID 63911314
3-butan-2-ylsulfanyl-2-cyclopropyl-2-(propylamino)propanamide
CID 63916489

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[methyl(propan-2-yl)amino]-2-(propylamino)propanamide?
The IUPAC name of 2-cyclopropyl-3-[methyl(propan-2-yl)amino]-2-(propylamino)propanamide (CID 63907693) is 2-cyclopropyl-3-[methyl(propan-2-yl)amino]-2-(propylamino)propanamide.
What is the SMILES notation for 2-cyclopropyl-3-[methyl(propan-2-yl)amino]-2-(propylamino)propanamide?
The canonical SMILES for 2-cyclopropyl-3-[methyl(propan-2-yl)amino]-2-(propylamino)propanamide is CCCNC(CN(C)C(C)C)(C(N)=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[methyl(propan-2-yl)amino]-2-(propylamino)propanamide?
The InChIKey is YZMFQSPBKYKHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-5-8-15-13(12(14)17,11-6-7-11)9-16(4)10(2)3/h10-11,15H,5-9H2,1-4H3,(H2,14,17).
What are the key properties of 2-cyclopropyl-3-[methyl(propan-2-yl)amino]-2-(propylamino)propanamide?
2-cyclopropyl-3-[methyl(propan-2-yl)amino]-2-(propylamino)propanamide has a molecular weight of 241.38 g/mol, XLogP of 0.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[methyl(propan-2-yl)amino]-2-(propylamino)propanamide is sourced from PubChem (CID 63907693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).