2-cyclopropyl-2-(methylamino)-3-[propan-2-yl(propyl)amino]propanamide

C13H27N3O — CID 63910696

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

About 2-cyclopropyl-2-(methylamino)-3-[propan-2-yl(propyl)amino]propanamide

2-cyclopropyl-2-(methylamino)-3-[propan-2-yl(propyl)amino]propanamide (PubChem CID 63910696) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-cyclopropyl-2-(methylamino)-3-[propan-2-yl(propyl)amino]propanamide.

Molecular Properties

Compound Name2-cyclopropyl-2-(methylamino)-3-[propan-2-yl(propyl)amino]propanamide
PubChem CID63910696
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-cyclopropyl-2-(methylamino)-3-[propan-2-yl(propyl)amino]propanamide
SMILESCCCN(CC(NC)(C(N)=O)C1CC1)C(C)C
InChIInChI=1S/C13H27N3O/c1-5-8-16(10(2)3)9-13(15-4,12(14)17)11-6-7-11/h10-11,15H,5-9H2,1-4H3,(H2,14,17)
InChIKeyHRVGXCJOKHSXEV-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-(methylamino)-3-[methyl(propyl)amino]propanamide
CID 63906423
2-cyclopropyl-2-(methylamino)-3-[methyl(propan-2-yl)amino]propanamide
CID 63908080
ethyl 2-cyclopropyl-2-(methylamino)-3-[pentyl(propan-2-yl)amino]propanoate
CID 63909390
2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(propan-2-yl)amino]propanamide
CID 63911283
3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(methylamino)propanamide
CID 107871018
2-cyclopropyl-2-(cyclopropylamino)-3-[cyclopropylmethyl(propan-2-yl)amino]propanamide
CID 63918014
ethyl 2-cyclopropyl-3-[cyclopropylmethyl(propan-2-yl)amino]-2-(methylamino)propanoate
CID 63915479
2-cyclopropyl-3-[cyclopropyl(propyl)amino]-2-(propan-2-ylamino)propanamide
CID 63909325
2-cyclopropyl-3-[methyl(propan-2-yl)amino]-2-(propylamino)propanamide
CID 63907693
ethyl 2-amino-2-cyclopropyl-3-[propan-2-yl(propyl)amino]propanoate
CID 63910108
methyl 3-[butan-2-yl(2-methoxyethyl)amino]-2-cyclopropyl-2-(methylamino)propanoate
CID 63910377
2-cyclopropyl-2-(ethylamino)-3-[methyl(propan-2-yl)amino]propanamide
CID 63907689

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(methylamino)-3-[propan-2-yl(propyl)amino]propanamide?
The IUPAC name of 2-cyclopropyl-2-(methylamino)-3-[propan-2-yl(propyl)amino]propanamide (CID 63910696) is 2-cyclopropyl-2-(methylamino)-3-[propan-2-yl(propyl)amino]propanamide.
What is the SMILES notation for 2-cyclopropyl-2-(methylamino)-3-[propan-2-yl(propyl)amino]propanamide?
The canonical SMILES for 2-cyclopropyl-2-(methylamino)-3-[propan-2-yl(propyl)amino]propanamide is CCCN(CC(NC)(C(N)=O)C1CC1)C(C)C.
What is the InChIKey of 2-cyclopropyl-2-(methylamino)-3-[propan-2-yl(propyl)amino]propanamide?
The InChIKey is HRVGXCJOKHSXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-5-8-16(10(2)3)9-13(15-4,12(14)17)11-6-7-11/h10-11,15H,5-9H2,1-4H3,(H2,14,17).
What are the key properties of 2-cyclopropyl-2-(methylamino)-3-[propan-2-yl(propyl)amino]propanamide?
2-cyclopropyl-2-(methylamino)-3-[propan-2-yl(propyl)amino]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-2-(methylamino)-3-[propan-2-yl(propyl)amino]propanamide is sourced from PubChem (CID 63910696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).