3-amino-N-(2-methylpentan-3-yl)propanamide

C9H20N2O — CID 61472687

IUPAC3-amino-N-(2-methylpentan-3-yl)propanamide
SMILESCCC(NC(=O)CCN)C(C)C
InChIInChI=1S/C9H20N2O/c1-4-8(7(2)3)11-9(12)5-6-10/h7-8H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyVLHLDXHANNDKGY-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.89
Rot. Bonds5

About 3-amino-N-(2-methylpentan-3-yl)propanamide

3-amino-N-(2-methylpentan-3-yl)propanamide (PubChem CID 61472687) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-amino-N-(2-methylpentan-3-yl)propanamide.

Molecular Properties

Compound Name3-amino-N-(2-methylpentan-3-yl)propanamide
PubChem CID61472687
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name3-amino-N-(2-methylpentan-3-yl)propanamide
SMILESCCC(NC(=O)CCN)C(C)C
InChIInChI=1S/C9H20N2O/c1-4-8(7(2)3)11-9(12)5-6-10/h7-8H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyVLHLDXHANNDKGY-UHFFFAOYSA-N
XLogP0.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-aminopropanoylamino)-4-methylpentanoic acid
CID 115558661
3-amino-N-butan-2-ylpropanamide
CID 16784988
6-amino-4-ethyl-N-(1-hydroxy-4-methylpentan-3-yl)hexanamide
CID 114176914
3-amino-N-[(2R)-1-hydroxypropan-2-yl]propanamide
CID 93083457
ethyl 2-(3-aminopropanoylamino)propanoate
CID 61499067
3-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid
CID 82687956
7-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide
CID 79250170
2-amino-N-[(3S)-2-hydroxypentan-3-yl]acetamide
CID 89042363
3-amino-N-[1-(ethylamino)propan-2-yl]propanamide
CID 88939970
4-amino-N-(3-methylpentan-2-yl)butanamide
CID 61464020
6-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4,4-dimethylhexanamide
CID 79250281
2-(1-aminocyclohexyl)-N-(2-methylpentan-3-yl)acetamide
CID 64678828

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methylpentan-3-yl)propanamide?
The IUPAC name of 3-amino-N-(2-methylpentan-3-yl)propanamide (CID 61472687) is 3-amino-N-(2-methylpentan-3-yl)propanamide.
What is the SMILES notation for 3-amino-N-(2-methylpentan-3-yl)propanamide?
The canonical SMILES for 3-amino-N-(2-methylpentan-3-yl)propanamide is CCC(NC(=O)CCN)C(C)C.
What is the InChIKey of 3-amino-N-(2-methylpentan-3-yl)propanamide?
The InChIKey is VLHLDXHANNDKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-4-8(7(2)3)11-9(12)5-6-10/h7-8H,4-6,10H2,1-3H3,(H,11,12).
What are the key properties of 3-amino-N-(2-methylpentan-3-yl)propanamide?
3-amino-N-(2-methylpentan-3-yl)propanamide has a molecular weight of 172.27 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methylpentan-3-yl)propanamide is sourced from PubChem (CID 61472687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).