2-methyl-N-(6-methylheptyl)propanamide

C12H25NO — CID 139441078

IUPAC2-methyl-N-(6-methylheptyl)propanamide
SMILESCC(C)CCCCCNC(=O)C(C)C
InChIInChI=1S/C12H25NO/c1-10(2)8-6-5-7-9-13-12(14)11(3)4/h10-11H,5-9H2,1-4H3,(H,13,14)
InChIKeyZVZCHTQIUMFIFZ-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.97
Rot. Bonds7

About 2-methyl-N-(6-methylheptyl)propanamide

2-methyl-N-(6-methylheptyl)propanamide (PubChem CID 139441078) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-methyl-N-(6-methylheptyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(6-methylheptyl)propanamide
PubChem CID139441078
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-methyl-N-(6-methylheptyl)propanamide
SMILESCC(C)CCCCCNC(=O)C(C)C
InChIInChI=1S/C12H25NO/c1-10(2)8-6-5-7-9-13-12(14)11(3)4/h10-11H,5-9H2,1-4H3,(H,13,14)
InChIKeyZVZCHTQIUMFIFZ-UHFFFAOYSA-N
XLogP2.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.97
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

2-methyl-N-[4-(methylamino)butyl]propanamide
CID 134337431
1-methyl-3-(7-methyloctyl)urea
CID 71899901
4-methyl-N-(6-methylheptyl)pentanamide
CID 129055781
2-(7-methyloctylamino)-2-oxoacetic acid
CID 104766982
2-hydroxy-N-(7-methyloctyl)acetamide
CID 134467211
N-(7-aminoheptyl)-2-methylpropanamide
CID 89281092
2-(methylamino)-N-(8-methylnonyl)acetamide
CID 170791103
ethane;N-(6-methylheptyl)acetamide;molecular hydrogen
CID 145404699
1-(6-methylheptyl)-3-[6-(6-methylheptylcarbamoylamino)hexa-2,4-diynyl]urea
CID 154630259
5-amino-2-methyl-N-(7-methyloctyl)pentanamide
CID 104684762
2-methyl-N-(9-methyl-8-oxodecyl)propanamide
CID 167573684
2-(5-methylhexylamino)-2-oxoacetic acid
CID 115326868

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(6-methylheptyl)propanamide?
The IUPAC name of 2-methyl-N-(6-methylheptyl)propanamide (CID 139441078) is 2-methyl-N-(6-methylheptyl)propanamide.
What is the SMILES notation for 2-methyl-N-(6-methylheptyl)propanamide?
The canonical SMILES for 2-methyl-N-(6-methylheptyl)propanamide is CC(C)CCCCCNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-(6-methylheptyl)propanamide?
The InChIKey is ZVZCHTQIUMFIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(2)8-6-5-7-9-13-12(14)11(3)4/h10-11H,5-9H2,1-4H3,(H,13,14).
What are the key properties of 2-methyl-N-(6-methylheptyl)propanamide?
2-methyl-N-(6-methylheptyl)propanamide has a molecular weight of 199.34 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(6-methylheptyl)propanamide is sourced from PubChem (CID 139441078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).