N-(3,3-dimethyldec-1-en-2-yl)-N-methylacetamide

C15H29NO — CID 135141337

IUPACN-(3,3-dimethyldec-1-en-2-yl)-N-methylacetamide
SMILESC=C(N(C)C(C)=O)C(C)(C)CCCCCCC
InChIInChI=1S/C15H29NO/c1-7-8-9-10-11-12-15(4,5)13(2)16(6)14(3)17/h2,7-12H2,1,3-6H3
InChIKeyWDKBRKDRFRCZDU-UHFFFAOYSA-N
MW239.40 g/mol
LogP4.37
Rot. Bonds8

About N-(3,3-dimethyldec-1-en-2-yl)-N-methylacetamide

N-(3,3-dimethyldec-1-en-2-yl)-N-methylacetamide (PubChem CID 135141337) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-(3,3-dimethyldec-1-en-2-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(3,3-dimethyldec-1-en-2-yl)-N-methylacetamide
PubChem CID135141337
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-(3,3-dimethyldec-1-en-2-yl)-N-methylacetamide
SMILESC=C(N(C)C(C)=O)C(C)(C)CCCCCCC
InChIInChI=1S/C15H29NO/c1-7-8-9-10-11-12-15(4,5)13(2)16(6)14(3)17/h2,7-12H2,1,3-6H3
InChIKeyWDKBRKDRFRCZDU-UHFFFAOYSA-N
XLogP4.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-N,2,2-trimethyloctanamide
CID 174259846
2,2-dimethylhexadecanamide
CID 23297438
2,2-dimethyldocosanoic acid
CID 23471202
2,2-dimethyldecanamide
CID 22596903
tris(2,2-dimethyldecanoic acid);neodymium
CID 162514792
2,2-dimethyldodecanoyl chloride
CID 15656432
2,2-dimethyloctanethioate
CID 18983936
azane;2,2-dimethyltetradecanoic acid;formaldehyde;hydroiodide
CID 173063198
methyl 3,3-dimethyl-2-methylidenenonadecanoate
CID 175497695
N-acetyl-N-methyltetradecanamide
CID 54508567
magnesium;2,2-dimethyloctanoic acid;hydride
CID 173414745
bis(2,2-dimethyloctanoate);tin(2+) dihydride
CID 173040991

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyldec-1-en-2-yl)-N-methylacetamide?
The IUPAC name of N-(3,3-dimethyldec-1-en-2-yl)-N-methylacetamide (CID 135141337) is N-(3,3-dimethyldec-1-en-2-yl)-N-methylacetamide.
What is the SMILES notation for N-(3,3-dimethyldec-1-en-2-yl)-N-methylacetamide?
The canonical SMILES for N-(3,3-dimethyldec-1-en-2-yl)-N-methylacetamide is C=C(N(C)C(C)=O)C(C)(C)CCCCCCC.
What is the InChIKey of N-(3,3-dimethyldec-1-en-2-yl)-N-methylacetamide?
The InChIKey is WDKBRKDRFRCZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-7-8-9-10-11-12-15(4,5)13(2)16(6)14(3)17/h2,7-12H2,1,3-6H3.
What are the key properties of N-(3,3-dimethyldec-1-en-2-yl)-N-methylacetamide?
N-(3,3-dimethyldec-1-en-2-yl)-N-methylacetamide has a molecular weight of 239.40 g/mol, XLogP of 4.37, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyldec-1-en-2-yl)-N-methylacetamide is sourced from PubChem (CID 135141337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).