2-methyl-3-(pentylamino)propanamide

C9H20N2O — CID 43312009

IUPAC2-methyl-3-(pentylamino)propanamide
SMILESCCCCCNCC(C)C(N)=O
InChIInChI=1S/C9H20N2O/c1-3-4-5-6-11-7-8(2)9(10)12/h8,11H,3-7H2,1-2H3,(H2,10,12)
InChIKeyAOTDDKXPOIVKNP-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.89
Rot. Bonds7

About 2-methyl-3-(pentylamino)propanamide

2-methyl-3-(pentylamino)propanamide (PubChem CID 43312009) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-methyl-3-(pentylamino)propanamide.

Molecular Properties

Compound Name2-methyl-3-(pentylamino)propanamide
PubChem CID43312009
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-methyl-3-(pentylamino)propanamide
SMILESCCCCCNCC(C)C(N)=O
InChIInChI=1S/C9H20N2O/c1-3-4-5-6-11-7-8(2)9(10)12/h8,11H,3-7H2,1-2H3,(H2,10,12)
InChIKeyAOTDDKXPOIVKNP-UHFFFAOYSA-N
XLogP0.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-2-methyl-3-(pentylamino)propanimidamide
CID 77026293
3-(ethylamino)-2-methylpropanamide
CID 43311981
2-amino-3-(butylamino)propanamide
CID 103232681
3-(heptan-2-ylamino)-2-methylpropanamide
CID 61464618
3-methyl-2-(pentylamino)butanamide
CID 103914102
2-[4-(tetradecylamino)butylamino]butanamide
CID 175024981
1-(pentylamino)propan-2-ol
CID 3016247
2-aminopropanoic acid;N-pentylpentan-1-amine
CID 174916137
(2S)-3-methyl-2-(tetradecylamino)butanamide
CID 54544525
decyl 3-(2-aminoethylamino)-2-methylpropanoate
CID 20551178
2-methylheptanamide;2-methylhexanamide
CID 160718848
(2S)-1-(hexadecylamino)propan-2-ol
CID 96570879

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(pentylamino)propanamide?
The IUPAC name of 2-methyl-3-(pentylamino)propanamide (CID 43312009) is 2-methyl-3-(pentylamino)propanamide.
What is the SMILES notation for 2-methyl-3-(pentylamino)propanamide?
The canonical SMILES for 2-methyl-3-(pentylamino)propanamide is CCCCCNCC(C)C(N)=O.
What is the InChIKey of 2-methyl-3-(pentylamino)propanamide?
The InChIKey is AOTDDKXPOIVKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-3-4-5-6-11-7-8(2)9(10)12/h8,11H,3-7H2,1-2H3,(H2,10,12).
What are the key properties of 2-methyl-3-(pentylamino)propanamide?
2-methyl-3-(pentylamino)propanamide has a molecular weight of 172.27 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(pentylamino)propanamide is sourced from PubChem (CID 43312009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).