N,N-dimethylacetamide;ethane;1-propylcyclohepta-1,4-diene

C16H31NO — CID 143342745

IUPACN,N-dimethylacetamide;ethane;1-propylcyclohepta-1,4-diene
SMILESCC.CC(=O)N(C)C.CCCC1=CCC=CCC1
InChIInChI=1S/C10H16.C4H9NO.C2H6/c1-2-7-10-8-5-3-4-6-9-10;1-4(6)5(2)3;1-2/h3-4,8H,2,5-7,9H2,1H3;1-3H3;1-2H3
InChIKeyGRZZIGPOURWSAV-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.57
Rot. Bonds2

About N,N-dimethylacetamide;ethane;1-propylcyclohepta-1,4-diene

N,N-dimethylacetamide;ethane;1-propylcyclohepta-1,4-diene (PubChem CID 143342745) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N,N-dimethylacetamide;ethane;1-propylcyclohepta-1,4-diene.

Molecular Properties

Compound NameN,N-dimethylacetamide;ethane;1-propylcyclohepta-1,4-diene
PubChem CID143342745
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN,N-dimethylacetamide;ethane;1-propylcyclohepta-1,4-diene
SMILESCC.CC(=O)N(C)C.CCCC1=CCC=CCC1
InChIInChI=1S/C10H16.C4H9NO.C2H6/c1-2-7-10-8-5-3-4-6-9-10;1-4(6)5(2)3;1-2/h3-4,8H,2,5-7,9H2,1H3;1-3H3;1-2H3
InChIKeyGRZZIGPOURWSAV-UHFFFAOYSA-N
XLogP4.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclohepta-1,4-dien-1-ylmethanamine
CID 139435596
1-cyclohepta-1,4-dien-1-ylethyl N,N-dimethylcarbamate
CID 123989393
bis(N,N-dimethylacetamide);methane;propane;1,1,3,3-tetramethylurea
CID 157392162
N-acetyl-N-(5-oxocyclopenten-1-yl)acetamide
CID 23264533
1-cyclohepta-1,4-dien-1-yl-2-hydroxy-2-methylpropan-1-one
CID 143165492
1-hexylcyclobutene
CID 86205685
ethane;2-propylcyclopenta-1,3-diene
CID 142052577
3-cyclohexa-1,4-dien-1-ylpropanoic acid
CID 10986432
1-(2-methylprop-2-enyl)cycloocta-1,5-diene
CID 10170477
4-propylcyclohexa-1,3-dien-1-ol
CID 129018446
1-[(2S)-4-propyl-1,2,3,6-tetrahydropyridin-2-yl]ethanone
CID 142996241
methyl-(4-propylphenyl)carbamic acid
CID 115170704

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylacetamide;ethane;1-propylcyclohepta-1,4-diene?
The IUPAC name of N,N-dimethylacetamide;ethane;1-propylcyclohepta-1,4-diene (CID 143342745) is N,N-dimethylacetamide;ethane;1-propylcyclohepta-1,4-diene.
What is the SMILES notation for N,N-dimethylacetamide;ethane;1-propylcyclohepta-1,4-diene?
The canonical SMILES for N,N-dimethylacetamide;ethane;1-propylcyclohepta-1,4-diene is CC.CC(=O)N(C)C.CCCC1=CCC=CCC1.
What is the InChIKey of N,N-dimethylacetamide;ethane;1-propylcyclohepta-1,4-diene?
The InChIKey is GRZZIGPOURWSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.C4H9NO.C2H6/c1-2-7-10-8-5-3-4-6-9-10;1-4(6)5(2)3;1-2/h3-4,8H,2,5-7,9H2,1H3;1-3H3;1-2H3.
What are the key properties of N,N-dimethylacetamide;ethane;1-propylcyclohepta-1,4-diene?
N,N-dimethylacetamide;ethane;1-propylcyclohepta-1,4-diene has a molecular weight of 253.43 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylacetamide;ethane;1-propylcyclohepta-1,4-diene is sourced from PubChem (CID 143342745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).