3-amino-3,4-dimethylhexanamide

C8H18N2O — CID 165482291

IUPAC3-amino-3,4-dimethylhexanamide
SMILESCCC(C)C(C)(N)CC(N)=O
InChIInChI=1S/C8H18N2O/c1-4-6(2)8(3,10)5-7(9)11/h6H,4-5,10H2,1-3H3,(H2,9,11)
InChIKeyFHNWUVMCAUHKTJ-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.63
Rot. Bonds4

About 3-amino-3,4-dimethylhexanamide

3-amino-3,4-dimethylhexanamide (PubChem CID 165482291) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-amino-3,4-dimethylhexanamide.

Molecular Properties

Compound Name3-amino-3,4-dimethylhexanamide
PubChem CID165482291
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name3-amino-3,4-dimethylhexanamide
SMILESCCC(C)C(C)(N)CC(N)=O
InChIInChI=1S/C8H18N2O/c1-4-6(2)8(3,10)5-7(9)11/h6H,4-5,10H2,1-3H3,(H2,9,11)
InChIKeyFHNWUVMCAUHKTJ-UHFFFAOYSA-N
XLogP0.63
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 ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-4-methyl-3-propan-2-ylhexanamide
CID 139781335
3,4-dimethyl-3-propan-2-ylpentanamide
CID 89429040
2,3-dimethylpentane-1,2-diamine
CID 130336484
3-(1-aminoethyl)-3,4-dimethylhexanoic acid
CID 66096869
2,3,3,4-tetramethylhexanamide
CID 90191700
(2S,3R)-2-amino-2-hydroxy-3-methylpentanoic acid
CID 91314303
(2S)-2-amino-2-hydroxy-3-methylpentanoic acid
CID 143658078
3-(2-amino-2-oxoethyl)-3-methylpentanediamide
CID 86237649
3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide
CID 106096229
4,5-dimethyl-1-methylsulfonylheptan-4-amine
CID 63192481
benzene;[2-(carbamoyloxymethyl)-2,3-dimethylpentyl] carbamate
CID 174805775
ethyl 2-ethoxy-2,3-dimethylpentanoate
CID 140976070

Frequently Asked Questions

What is the IUPAC name of 3-amino-3,4-dimethylhexanamide?
The IUPAC name of 3-amino-3,4-dimethylhexanamide (CID 165482291) is 3-amino-3,4-dimethylhexanamide.
What is the SMILES notation for 3-amino-3,4-dimethylhexanamide?
The canonical SMILES for 3-amino-3,4-dimethylhexanamide is CCC(C)C(C)(N)CC(N)=O.
What is the InChIKey of 3-amino-3,4-dimethylhexanamide?
The InChIKey is FHNWUVMCAUHKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-4-6(2)8(3,10)5-7(9)11/h6H,4-5,10H2,1-3H3,(H2,9,11).
What are the key properties of 3-amino-3,4-dimethylhexanamide?
3-amino-3,4-dimethylhexanamide has a molecular weight of 158.24 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3,4-dimethylhexanamide is sourced from PubChem (CID 165482291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).