2-(pentan-3-ylamino)butanamide

C9H20N2O — CID 62899455

IUPAC2-(pentan-3-ylamino)butanamide
SMILESCCC(CC)NC(CC)C(N)=O
InChIInChI=1S/C9H20N2O/c1-4-7(5-2)11-8(6-3)9(10)12/h7-8,11H,4-6H2,1-3H3,(H2,10,12)
InChIKeyRUSKQHOIJURBEZ-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.03
Rot. Bonds6

About 2-(pentan-3-ylamino)butanamide

2-(pentan-3-ylamino)butanamide (PubChem CID 62899455) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-(pentan-3-ylamino)butanamide.

Molecular Properties

Compound Name2-(pentan-3-ylamino)butanamide
PubChem CID62899455
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-(pentan-3-ylamino)butanamide
SMILESCCC(CC)NC(CC)C(N)=O
InChIInChI=1S/C9H20N2O/c1-4-7(5-2)11-8(6-3)9(10)12/h7-8,11H,4-6H2,1-3H3,(H2,10,12)
InChIKeyRUSKQHOIJURBEZ-UHFFFAOYSA-N
XLogP1.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-amino-1-oxobutan-2-yl)amino]butanamide
CID 174420695
2-(hexan-3-ylamino)-3-hydroxypropanamide
CID 138623238
methyl 2-[(1-amino-1-oxobutan-2-yl)amino]-4-methylpentanoate
CID 62901379
4-[(1-amino-1-oxobutan-2-yl)amino]pentanoic acid
CID 87751829
2-formamidobutanamide
CID 55291106
2-(2-aminoethylamino)butanamide
CID 62900229
2-(1-phenylethylamino)butanamide
CID 62899453
2-[(1-amino-1-oxobutan-2-yl)amino]-2-phenylacetic acid
CID 62901018
3-(pentan-3-ylamino)-4-propan-2-ylsulfanylbutan-2-one
CID 90955376
2-(2-hydroperoxyhydrazinyl)butanamide
CID 134533270
2-(butylamino)butanamide
CID 62901736
2-[[(1S)-1-pyridin-4-ylethyl]amino]butanamide
CID 81409606

Frequently Asked Questions

What is the IUPAC name of 2-(pentan-3-ylamino)butanamide?
The IUPAC name of 2-(pentan-3-ylamino)butanamide (CID 62899455) is 2-(pentan-3-ylamino)butanamide.
What is the SMILES notation for 2-(pentan-3-ylamino)butanamide?
The canonical SMILES for 2-(pentan-3-ylamino)butanamide is CCC(CC)NC(CC)C(N)=O.
What is the InChIKey of 2-(pentan-3-ylamino)butanamide?
The InChIKey is RUSKQHOIJURBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-4-7(5-2)11-8(6-3)9(10)12/h7-8,11H,4-6H2,1-3H3,(H2,10,12).
What are the key properties of 2-(pentan-3-ylamino)butanamide?
2-(pentan-3-ylamino)butanamide has a molecular weight of 172.27 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pentan-3-ylamino)butanamide is sourced from PubChem (CID 62899455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).