3-amino-N-butan-2-ylpropanamide

C7H16N2O — CID 16784988

IUPAC3-amino-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCN
InChIInChI=1S/C7H16N2O/c1-3-6(2)9-7(10)4-5-8/h6H,3-5,8H2,1-2H3,(H,9,10)
InChIKeyUOZOLZSKMCSZIW-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.25
Rot. Bonds4

About 3-amino-N-butan-2-ylpropanamide

3-amino-N-butan-2-ylpropanamide (PubChem CID 16784988) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 3-amino-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name3-amino-N-butan-2-ylpropanamide
PubChem CID16784988
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name3-amino-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCN
InChIInChI=1S/C7H16N2O/c1-3-6(2)9-7(10)4-5-8/h6H,3-5,8H2,1-2H3,(H,9,10)
InChIKeyUOZOLZSKMCSZIW-UHFFFAOYSA-N
XLogP0.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(2R)-1-hydroxypropan-2-yl]propanamide
CID 93083457
3-amino-N-[1-(ethylamino)propan-2-yl]propanamide
CID 88939970
3-amino-N-(2-methylpentan-3-yl)propanamide
CID 61472687
N-[(2R)-butan-2-yl]-3-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]sulfanylpropanamide
CID 2169384
N-butan-2-yl-4-oxopentanamide
CID 60635035
N-butan-2-ylhexacosanamide
CID 163047877
N-butan-2-ylnonanamide
CID 4188803
3-amino-N-[(2S)-butan-2-yl]butanamide
CID 142118681
N-(4-aminobutan-2-yl)-4-methylpentanamide
CID 62092208
ethyl 2-(3-aminopropanoylamino)propanoate
CID 61499067
2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]propanamide;hydrochloride
CID 119297115
N-[(2S)-butan-2-yl]-3-methylbutanamide
CID 38989280

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butan-2-ylpropanamide?
The IUPAC name of 3-amino-N-butan-2-ylpropanamide (CID 16784988) is 3-amino-N-butan-2-ylpropanamide.
What is the SMILES notation for 3-amino-N-butan-2-ylpropanamide?
The canonical SMILES for 3-amino-N-butan-2-ylpropanamide is CCC(C)NC(=O)CCN.
What is the InChIKey of 3-amino-N-butan-2-ylpropanamide?
The InChIKey is UOZOLZSKMCSZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-3-6(2)9-7(10)4-5-8/h6H,3-5,8H2,1-2H3,(H,9,10).
What are the key properties of 3-amino-N-butan-2-ylpropanamide?
3-amino-N-butan-2-ylpropanamide has a molecular weight of 144.22 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butan-2-ylpropanamide is sourced from PubChem (CID 16784988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).