N,7-dimethyloctanamide;molecular hydrogen

C10H23NO — CID 164603110

IUPACN,7-dimethyloctanamide;molecular hydrogen
SMILESCNC(=O)CCCCCC(C)C.[H][H]
InChIInChI=1S/C10H21NO.H2/c1-9(2)7-5-4-6-8-10(12)11-3;/h9H,4-8H2,1-3H3,(H,11,12);1H
InChIKeyHUWFTFQQPTZGLP-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.58
Rot. Bonds6

About N,7-dimethyloctanamide;molecular hydrogen

N,7-dimethyloctanamide;molecular hydrogen (PubChem CID 164603110) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is N,7-dimethyloctanamide;molecular hydrogen.

Molecular Properties

Compound NameN,7-dimethyloctanamide;molecular hydrogen
PubChem CID164603110
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC NameN,7-dimethyloctanamide;molecular hydrogen
SMILESCNC(=O)CCCCCC(C)C.[H][H]
InChIInChI=1S/C10H21NO.H2/c1-9(2)7-5-4-6-8-10(12)11-3;/h9H,4-8H2,1-3H3,(H,11,12);1H
InChIKeyHUWFTFQQPTZGLP-UHFFFAOYSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dimethylheptanediamide
CID 15166696
11-methyl-N-oxidododecanamide
CID 71301385
CID 57354386
CID 57354386
7-methyl-N-oxidooctanamide
CID 56842822
16-methylheptadecanoic acid
CID 87200881
3-(7-methyloctanoylamino)propanoic acid
CID 115729984
N-methoxy-7-methyloctanamide
CID 174552254
8-methylnonanoic acid;zinc
CID 175431403
azane;16-methylheptadecanoic acid
CID 161380406
copper;6-methylheptanoic acid;7-methyloctanoic acid
CID 170842842
iron;6-methylheptanoic acid;7-methyloctanoic acid
CID 56844011
CID 59445332
CID 59445332

Frequently Asked Questions

What is the IUPAC name of N,7-dimethyloctanamide;molecular hydrogen?
The IUPAC name of N,7-dimethyloctanamide;molecular hydrogen (CID 164603110) is N,7-dimethyloctanamide;molecular hydrogen.
What is the SMILES notation for N,7-dimethyloctanamide;molecular hydrogen?
The canonical SMILES for N,7-dimethyloctanamide;molecular hydrogen is CNC(=O)CCCCCC(C)C.[H][H].
What is the InChIKey of N,7-dimethyloctanamide;molecular hydrogen?
The InChIKey is HUWFTFQQPTZGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.H2/c1-9(2)7-5-4-6-8-10(12)11-3;/h9H,4-8H2,1-3H3,(H,11,12);1H.
What are the key properties of N,7-dimethyloctanamide;molecular hydrogen?
N,7-dimethyloctanamide;molecular hydrogen has a molecular weight of 173.30 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-dimethyloctanamide;molecular hydrogen is sourced from PubChem (CID 164603110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).