N-(3,7-dimethyloct-6-enyl)formamide

C11H21NO — CID 86076600

IUPACN-(3,7-dimethyloct-6-enyl)formamide
SMILESCC(C)=CCCC(C)CCNC=O
InChIInChI=1S/C11H21NO/c1-10(2)5-4-6-11(3)7-8-12-9-13/h5,9,11H,4,6-8H2,1-3H3,(H,12,13)
InChIKeyJMPJBHCHCZNGSH-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.51
Rot. Bonds7

About N-(3,7-dimethyloct-6-enyl)formamide

N-(3,7-dimethyloct-6-enyl)formamide (PubChem CID 86076600) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-(3,7-dimethyloct-6-enyl)formamide.

Molecular Properties

Compound NameN-(3,7-dimethyloct-6-enyl)formamide
PubChem CID86076600
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-(3,7-dimethyloct-6-enyl)formamide
SMILESCC(C)=CCCC(C)CCNC=O
InChIInChI=1S/C11H21NO/c1-10(2)5-4-6-11(3)7-8-12-9-13/h5,9,11H,4,6-8H2,1-3H3,(H,12,13)
InChIKeyJMPJBHCHCZNGSH-UHFFFAOYSA-N
XLogP2.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-[2-[5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethyl]formamide
CID 141898540
N-(6-methylhept-5-en-2-yl)formamide
CID 3614685
N-[2-methyl-1-prenylpropyl] formamide
CID 132277315
N-[2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-yl]formamide
CID 164666523
N-(2-cyclohex-2-en-1-ylethyl)formamide
CID 19888892
N-[(E)-oct-5-enyl]formamide
CID 21391943
N-(5-methylhept-6-enyl)formamide
CID 87378048
N-(4-cyclohexylbut-3-enyl)formamide
CID 88121572
N-[(1Z)-1-(3-methylcyclopentylidene)pentan-2-yl]formamide
CID 89073710
N-[(E)-2-(2-ethylcyclohex-3-en-1-yl)but-2-enyl]formamide
CID 89097630
N-[2-[(2Z)-2-but-3-en-2-ylidenecyclopentyl]propyl]formamide
CID 89215066

Frequently Asked Questions

What is the IUPAC name of N-(3,7-dimethyloct-6-enyl)formamide?
The IUPAC name of N-(3,7-dimethyloct-6-enyl)formamide (CID 86076600) is N-(3,7-dimethyloct-6-enyl)formamide.
What is the SMILES notation for N-(3,7-dimethyloct-6-enyl)formamide?
The canonical SMILES for N-(3,7-dimethyloct-6-enyl)formamide is CC(C)=CCCC(C)CCNC=O.
What is the InChIKey of N-(3,7-dimethyloct-6-enyl)formamide?
The InChIKey is JMPJBHCHCZNGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(2)5-4-6-11(3)7-8-12-9-13/h5,9,11H,4,6-8H2,1-3H3,(H,12,13).
What are the key properties of N-(3,7-dimethyloct-6-enyl)formamide?
N-(3,7-dimethyloct-6-enyl)formamide has a molecular weight of 183.29 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,7-dimethyloct-6-enyl)formamide is sourced from PubChem (CID 86076600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).