3-(propan-2-ylamino)propanamide

C6H14N2O — CID 18768059

IUPAC3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(N)=O
InChIInChI=1S/C6H14N2O/c1-5(2)8-4-3-6(7)9/h5,8H,3-4H2,1-2H3,(H2,7,9)
InChIKeyONMUOFLRUZMXGF-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.14
Rot. Bonds4

About 3-(propan-2-ylamino)propanamide

3-(propan-2-ylamino)propanamide (PubChem CID 18768059) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound Name3-(propan-2-ylamino)propanamide
PubChem CID18768059
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(N)=O
InChIInChI=1S/C6H14N2O/c1-5(2)8-4-3-6(7)9/h5,8H,3-4H2,1-2H3,(H2,7,9)
InChIKeyONMUOFLRUZMXGF-UHFFFAOYSA-N
XLogP-0.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1,1-difluoropropan-2-ylamino)propanamide
CID 102868267
3-(3-methylpentan-2-ylamino)propanamide
CID 43553184
3-(5-methylhexan-2-ylamino)propanamide
CID 43398450
3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]propanamide
CID 77029016
sodium 3-(propan-2-ylamino)propanoate
CID 102309270
2-[(3-amino-3-oxopropyl)amino]-N-(2-methylpropyl)propanamide
CID 43553515
3-(1-hydroxybutan-2-ylamino)propanamide
CID 43389836
2-(propan-2-ylamino)ethyl carbamate
CID 79338127
2-[3-(propan-2-ylamino)propanoylamino]ethyl carbamate
CID 83210184
S-sulfanyl 3-(propan-2-ylamino)propanethioate
CID 134462355
2-[(3-amino-3-oxopropyl)amino]-N-pentylpropanamide
CID 43553504
4-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]butanamide
CID 60865224

Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylamino)propanamide?
The IUPAC name of 3-(propan-2-ylamino)propanamide (CID 18768059) is 3-(propan-2-ylamino)propanamide.
What is the SMILES notation for 3-(propan-2-ylamino)propanamide?
The canonical SMILES for 3-(propan-2-ylamino)propanamide is CC(C)NCCC(N)=O.
What is the InChIKey of 3-(propan-2-ylamino)propanamide?
The InChIKey is ONMUOFLRUZMXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-5(2)8-4-3-6(7)9/h5,8H,3-4H2,1-2H3,(H2,7,9).
What are the key properties of 3-(propan-2-ylamino)propanamide?
3-(propan-2-ylamino)propanamide has a molecular weight of 130.19 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 18768059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).