N-methyl-N-pentadecan-6-ylformamide

C17H35NO — CID 89274387

IUPACN-methyl-N-pentadecan-6-ylformamide
SMILESCCCCCCCCCC(CCCCC)N(C)C=O
InChIInChI=1S/C17H35NO/c1-4-6-8-9-10-11-13-15-17(18(3)16-19)14-12-7-5-2/h16-17H,4-15H2,1-3H3
InChIKeyDCCLTPYOLHTMJC-UHFFFAOYSA-N
MW269.47 g/mol
LogP5.16
Rot. Bonds14

About N-methyl-N-pentadecan-6-ylformamide

N-methyl-N-pentadecan-6-ylformamide (PubChem CID 89274387) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is N-methyl-N-pentadecan-6-ylformamide.

Molecular Properties

Compound NameN-methyl-N-pentadecan-6-ylformamide
PubChem CID89274387
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC NameN-methyl-N-pentadecan-6-ylformamide
SMILESCCCCCCCCCC(CCCCC)N(C)C=O
InChIInChI=1S/C17H35NO/c1-4-6-8-9-10-11-13-15-17(18(3)16-19)14-12-7-5-2/h16-17H,4-15H2,1-3H3
InChIKeyDCCLTPYOLHTMJC-UHFFFAOYSA-N
XLogP5.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.47
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylformamide;dodecane
CID 174900991
(10R)-N,N-dimethylheptacosan-10-amine
CID 134549801
N,N-dimethyltetracontan-19-amine
CID 45382230
N,N-dimethylpentadecan-8-amine;hydrobromide
CID 173437553
N,N-dimethylicosan-7-amine;hydrobromide
CID 173410689
N,N-dimethylicosan-5-amine
CID 19862397
N,N'-dimethyl-N,N'-di(tetradecan-6-yl)propanediamide
CID 88536227
N-chloro-N-methylhenicosan-11-amine
CID 141096758
N,N-dimethyltetracos-17-en-9-amine
CID 123150200
(Z)-N,N-dimethyltetratriacont-25-en-17-amine
CID 87229276
(Z,10R)-N,N-dimethylnonacos-17-en-10-amine
CID 126711357
N,N-dimethyldotriacont-24-en-10-amine
CID 175230423

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pentadecan-6-ylformamide?
The IUPAC name of N-methyl-N-pentadecan-6-ylformamide (CID 89274387) is N-methyl-N-pentadecan-6-ylformamide.
What is the SMILES notation for N-methyl-N-pentadecan-6-ylformamide?
The canonical SMILES for N-methyl-N-pentadecan-6-ylformamide is CCCCCCCCCC(CCCCC)N(C)C=O.
What is the InChIKey of N-methyl-N-pentadecan-6-ylformamide?
The InChIKey is DCCLTPYOLHTMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-4-6-8-9-10-11-13-15-17(18(3)16-19)14-12-7-5-2/h16-17H,4-15H2,1-3H3.
What are the key properties of N-methyl-N-pentadecan-6-ylformamide?
N-methyl-N-pentadecan-6-ylformamide has a molecular weight of 269.47 g/mol, XLogP of 5.16, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pentadecan-6-ylformamide is sourced from PubChem (CID 89274387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).