4-amino-N,5-dimethylhexanamide

C8H18N2O — CID 102537827

IUPAC4-amino-N,5-dimethylhexanamide
SMILESCNC(=O)CCC(N)C(C)C
InChIInChI=1S/C8H18N2O/c1-6(2)7(9)4-5-8(11)10-3/h6-7H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyGWIZJCSLRPEODK-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.50
Rot. Bonds4

About 4-amino-N,5-dimethylhexanamide

4-amino-N,5-dimethylhexanamide (PubChem CID 102537827) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 4-amino-N,5-dimethylhexanamide.

Molecular Properties

Compound Name4-amino-N,5-dimethylhexanamide
PubChem CID102537827
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name4-amino-N,5-dimethylhexanamide
SMILESCNC(=O)CCC(N)C(C)C
InChIInChI=1S/C8H18N2O/c1-6(2)7(9)4-5-8(11)10-3/h6-7H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyGWIZJCSLRPEODK-UHFFFAOYSA-N
XLogP0.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-amino-5-methylhexanamide
CID 90463437
4-amino-N-methylhexanamide
CID 118906510
N',2-dimethylpentanediamide
CID 21268064
aminomethyl (2S)-2-amino-5-(methylamino)-5-oxopentanoate
CID 88729241
3-(3-aminobutylsulfonyl)-N-methylpropanamide
CID 81193833
4-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pentanamide
CID 106813309
(3R)-3-amino-N-methylbutanamide;hydrochloride
CID 87931451
N,4-dimethylhex-5-enamide
CID 155715427
N,7-dimethyloctanamide;molecular hydrogen
CID 164603110
N,N'-dimethylheptanediamide
CID 15166696
methyl [3-(methylamino)-3-oxopropyl] carbonate
CID 118406273
(2R)-2-amino-3-[3-(methylamino)-3-oxopropyl]sulfanylpropanoic acid
CID 62324056

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,5-dimethylhexanamide?
The IUPAC name of 4-amino-N,5-dimethylhexanamide (CID 102537827) is 4-amino-N,5-dimethylhexanamide.
What is the SMILES notation for 4-amino-N,5-dimethylhexanamide?
The canonical SMILES for 4-amino-N,5-dimethylhexanamide is CNC(=O)CCC(N)C(C)C.
What is the InChIKey of 4-amino-N,5-dimethylhexanamide?
The InChIKey is GWIZJCSLRPEODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-6(2)7(9)4-5-8(11)10-3/h6-7H,4-5,9H2,1-3H3,(H,10,11).
What are the key properties of 4-amino-N,5-dimethylhexanamide?
4-amino-N,5-dimethylhexanamide has a molecular weight of 158.25 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,5-dimethylhexanamide is sourced from PubChem (CID 102537827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).