N-[2-(3,4-dimethylcyclohepta-1,3-dien-1-yl)propyl]formamide

C13H21NO — CID 142586757

IUPACN-[2-(3,4-dimethylcyclohepta-1,3-dien-1-yl)propyl]formamide
SMILESCC1=C(C)CCCC(C(C)CNC=O)=C1
InChIInChI=1S/C13H21NO/c1-10-5-4-6-13(7-11(10)2)12(3)8-14-9-15/h7,9,12H,4-6,8H2,1-3H3,(H,14,15)
InChIKeyKKIQCIMVYIOQJF-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.82
Rot. Bonds4

About N-[2-(3,4-dimethylcyclohepta-1,3-dien-1-yl)propyl]formamide

N-[2-(3,4-dimethylcyclohepta-1,3-dien-1-yl)propyl]formamide (PubChem CID 142586757) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[2-(3,4-dimethylcyclohepta-1,3-dien-1-yl)propyl]formamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethylcyclohepta-1,3-dien-1-yl)propyl]formamide
PubChem CID142586757
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-[2-(3,4-dimethylcyclohepta-1,3-dien-1-yl)propyl]formamide
SMILESCC1=C(C)CCCC(C(C)CNC=O)=C1
InChIInChI=1S/C13H21NO/c1-10-5-4-6-13(7-11(10)2)12(3)8-14-9-15/h7,9,12H,4-6,8H2,1-3H3,(H,14,15)
InChIKeyKKIQCIMVYIOQJF-UHFFFAOYSA-N
XLogP2.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[3-methyl-5-(trifluoromethyl)cyclohepta-1,5,6-trien-1-yl]propyl]formamide
CID 123980269
N-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)butyl]formamide
CID 53664524
N-[(3E,5Z)-5-[2-(4-methylcyclohexyl)ethyl]hepta-3,5-dienyl]formamide
CID 59545833
N-(3,7-dimethyloct-6-enyl)formamide
CID 86076600
N-[2-[(2Z)-2-but-3-en-2-ylidenecyclopentyl]propyl]formamide
CID 89215066
N-(1-cyclohexa-1,3-dien-1-ylbutan-2-yl)formamide
CID 90997466
N-(6,8-dimethylundeca-6,8,10-trien-2-yl)formamide
CID 91005878
N-[(3E,5Z)-5-(2-cyclohexylethyl)hepta-3,5-dienyl]formamide
CID 91215157
N-[3-ethyl-5-(3-ethyl-1-methylcyclopent-3-en-1-yl)-3-methylpentyl]formamide
CID 126515952
N-[(11Z,14Z)-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dienyl]formamide
CID 130459165
N-[2,4-dimethyl-5-(1-methylcyclopent-3-en-1-yl)pentyl]formamide
CID 132064988
N-[5-(3-ethyl-1-methylcyclopent-3-en-1-yl)pentyl]formamide
CID 132064992

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylcyclohepta-1,3-dien-1-yl)propyl]formamide?
The IUPAC name of N-[2-(3,4-dimethylcyclohepta-1,3-dien-1-yl)propyl]formamide (CID 142586757) is N-[2-(3,4-dimethylcyclohepta-1,3-dien-1-yl)propyl]formamide.
What is the SMILES notation for N-[2-(3,4-dimethylcyclohepta-1,3-dien-1-yl)propyl]formamide?
The canonical SMILES for N-[2-(3,4-dimethylcyclohepta-1,3-dien-1-yl)propyl]formamide is CC1=C(C)CCCC(C(C)CNC=O)=C1.
What is the InChIKey of N-[2-(3,4-dimethylcyclohepta-1,3-dien-1-yl)propyl]formamide?
The InChIKey is KKIQCIMVYIOQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10-5-4-6-13(7-11(10)2)12(3)8-14-9-15/h7,9,12H,4-6,8H2,1-3H3,(H,14,15).
What are the key properties of N-[2-(3,4-dimethylcyclohepta-1,3-dien-1-yl)propyl]formamide?
N-[2-(3,4-dimethylcyclohepta-1,3-dien-1-yl)propyl]formamide has a molecular weight of 207.32 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylcyclohepta-1,3-dien-1-yl)propyl]formamide is sourced from PubChem (CID 142586757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).