N-methylhepta-1,6-dien-4-imine

C8H13N — CID 171097239

IUPACN-methylhepta-1,6-dien-4-imine
SMILESC=CCC(CC=C)=NC
InChIInChI=1S/C8H13N/c1-4-6-8(9-3)7-5-2/h4-5H,1-2,6-7H2,3H3
InChIKeyOPPVVSIEHSCBGX-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.21
Rot. Bonds4

About N-methylhepta-1,6-dien-4-imine

N-methylhepta-1,6-dien-4-imine (PubChem CID 171097239) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N-methylhepta-1,6-dien-4-imine.

Molecular Properties

Compound NameN-methylhepta-1,6-dien-4-imine
PubChem CID171097239
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN-methylhepta-1,6-dien-4-imine
SMILESC=CCC(CC=C)=NC
InChIInChI=1S/C8H13N/c1-4-6-8(9-3)7-5-2/h4-5H,1-2,6-7H2,3H3
InChIKeyOPPVVSIEHSCBGX-UHFFFAOYSA-N
XLogP2.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-methylpent-4-en-2-imine
CID 91448417
N-methyl-methyl-3-pentenylidenimine
CID 123242629
3,3-difluoro-N-methylhex-5-en-2-imine
CID 123616438
N-methylpent-1-en-3-imine
CID 21718389
Allyl-(1-methyl-pent-4-enylidene)-amine
CID 22036666
N-methylcyclopent-3-en-1-imine
CID 57004337
4-N,7-N-dimethyldeca-1,9-diene-4,7-diimine
CID 57201163
N,4-dimethylpent-4-en-2-imine
CID 58722539
N-methylhex-5-en-2-imine
CID 85546224
N-methylhept-6-en-3-imine
CID 85546229
N-methylhept-5-en-2-imine
CID 91366788
N-methylhept-6-en-2-imine
CID 91486041

Frequently Asked Questions

What is the IUPAC name of N-methylhepta-1,6-dien-4-imine?
The IUPAC name of N-methylhepta-1,6-dien-4-imine (CID 171097239) is N-methylhepta-1,6-dien-4-imine.
What is the SMILES notation for N-methylhepta-1,6-dien-4-imine?
The canonical SMILES for N-methylhepta-1,6-dien-4-imine is C=CCC(CC=C)=NC.
What is the InChIKey of N-methylhepta-1,6-dien-4-imine?
The InChIKey is OPPVVSIEHSCBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-4-6-8(9-3)7-5-2/h4-5H,1-2,6-7H2,3H3.
What are the key properties of N-methylhepta-1,6-dien-4-imine?
N-methylhepta-1,6-dien-4-imine has a molecular weight of 123.20 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylhepta-1,6-dien-4-imine is sourced from PubChem (CID 171097239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).