3-methyl-2-(pentylamino)butanamide

C10H22N2O — CID 103914102

IUPAC3-methyl-2-(pentylamino)butanamide
SMILESCCCCCNC(C(N)=O)C(C)C
InChIInChI=1S/C10H22N2O/c1-4-5-6-7-12-9(8(2)3)10(11)13/h8-9,12H,4-7H2,1-3H3,(H2,11,13)
InChIKeyQMNJXFWCZLAOJL-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.28
Rot. Bonds7

About 3-methyl-2-(pentylamino)butanamide

3-methyl-2-(pentylamino)butanamide (PubChem CID 103914102) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 3-methyl-2-(pentylamino)butanamide.

Molecular Properties

Compound Name3-methyl-2-(pentylamino)butanamide
PubChem CID103914102
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name3-methyl-2-(pentylamino)butanamide
SMILESCCCCCNC(C(N)=O)C(C)C
InChIInChI=1S/C10H22N2O/c1-4-5-6-7-12-9(8(2)3)10(11)13/h8-9,12H,4-7H2,1-3H3,(H2,11,13)
InChIKeyQMNJXFWCZLAOJL-UHFFFAOYSA-N
XLogP1.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.28
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

(2S)-3-methyl-2-(tetradecylamino)butanamide
CID 54544525
2-(3-hydroxypropylamino)-3-methylbutanamide
CID 103914237
methyl 2-(dodecylamino)-3-methylbutanoate
CID 63402058
(2S)-2-(3-aminopropylamino)-3-methylbutanamide;hydrochloride
CID 171647987
(2S)-2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-(pentylamino)butanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanamide
CID 88814635
methyl 2-(octylamino)propanoate
CID 60780709
2-methyl-3-(pentylamino)propanamide
CID 43312009
methyl 2-(tetradecylamino)propanoate
CID 174995791
2-[4-(tetradecylamino)butylamino]butanamide
CID 175024981
2-(butylamino)butanamide
CID 62901736
2-(tridecylamino)octanamide
CID 154123950
carbamoyl 2-[7-[(1-carbamoyloxy-3-methyl-1-oxobutan-2-yl)amino]heptylamino]-3-methylbutanoate
CID 123513496

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(pentylamino)butanamide?
The IUPAC name of 3-methyl-2-(pentylamino)butanamide (CID 103914102) is 3-methyl-2-(pentylamino)butanamide.
What is the SMILES notation for 3-methyl-2-(pentylamino)butanamide?
The canonical SMILES for 3-methyl-2-(pentylamino)butanamide is CCCCCNC(C(N)=O)C(C)C.
What is the InChIKey of 3-methyl-2-(pentylamino)butanamide?
The InChIKey is QMNJXFWCZLAOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-4-5-6-7-12-9(8(2)3)10(11)13/h8-9,12H,4-7H2,1-3H3,(H2,11,13).
What are the key properties of 3-methyl-2-(pentylamino)butanamide?
3-methyl-2-(pentylamino)butanamide has a molecular weight of 186.30 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(pentylamino)butanamide is sourced from PubChem (CID 103914102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).