2-amino-3,4-dimethylhexanamide

C8H18N2O — CID 131230677

IUPAC2-amino-3,4-dimethylhexanamide
SMILESCCC(C)C(C)C(N)C(N)=O
InChIInChI=1S/C8H18N2O/c1-4-5(2)6(3)7(9)8(10)11/h5-7H,4,9H2,1-3H3,(H2,10,11)
InChIKeyPDTRNBLMHQINGU-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.48
Rot. Bonds4

About 2-amino-3,4-dimethylhexanamide

2-amino-3,4-dimethylhexanamide (PubChem CID 131230677) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-amino-3,4-dimethylhexanamide.

Molecular Properties

Compound Name2-amino-3,4-dimethylhexanamide
PubChem CID131230677
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name2-amino-3,4-dimethylhexanamide
SMILESCCC(C)C(C)C(N)C(N)=O
InChIInChI=1S/C8H18N2O/c1-4-5(2)6(3)7(9)8(10)11/h5-7H,4,9H2,1-3H3,(H2,10,11)
InChIKeyPDTRNBLMHQINGU-UHFFFAOYSA-N
XLogP0.48
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,4-dimethylhexanamide?
The IUPAC name of 2-amino-3,4-dimethylhexanamide (CID 131230677) is 2-amino-3,4-dimethylhexanamide.
What is the SMILES notation for 2-amino-3,4-dimethylhexanamide?
The canonical SMILES for 2-amino-3,4-dimethylhexanamide is CCC(C)C(C)C(N)C(N)=O.
What is the InChIKey of 2-amino-3,4-dimethylhexanamide?
The InChIKey is PDTRNBLMHQINGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-4-5(2)6(3)7(9)8(10)11/h5-7H,4,9H2,1-3H3,(H2,10,11).
What are the key properties of 2-amino-3,4-dimethylhexanamide?
2-amino-3,4-dimethylhexanamide has a molecular weight of 158.24 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,4-dimethylhexanamide is sourced from PubChem (CID 131230677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).