N-hepta-3,5-dien-3-ylmethanimine

C8H13N — CID 123371851

IUPACN-hepta-3,5-dien-3-ylmethanimine
SMILESC=NC(=CC=CC)CC
InChIInChI=1S/C8H13N/c1-4-6-7-8(5-2)9-3/h4,6-7H,3,5H2,1-2H3
InChIKeyHCNSBYBJRRINNA-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.56
Rot. Bonds3

About N-hepta-3,5-dien-3-ylmethanimine

N-hepta-3,5-dien-3-ylmethanimine (PubChem CID 123371851) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N-hepta-3,5-dien-3-ylmethanimine.

Molecular Properties

Compound NameN-hepta-3,5-dien-3-ylmethanimine
PubChem CID123371851
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN-hepta-3,5-dien-3-ylmethanimine
SMILESC=NC(=CC=CC)CC
InChIInChI=1S/C8H13N/c1-4-6-7-8(5-2)9-3/h4,6-7H,3,5H2,1-2H3
InChIKeyHCNSBYBJRRINNA-UHFFFAOYSA-N
XLogP2.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluoro-5-methylhexa-1,3,5-trien-2-yl)methanimine
CID 91170852
N-(6-fluoro-4-prop-1-enylhepta-3,5-dien-3-yl)methanimine
CID 124034785
N-[4-fluoro-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine
CID 135128525
N-[(2Z,4E)-3-(2-fluoroethyl)hexa-2,4-dien-2-yl]methanimine
CID 137467845
N-[(3Z)-4-fluorohexa-3,5-dien-3-yl]methanimine
CID 139341029
N-[(3E,5E)-4-[(E)-2-fluoroethenyl]hepta-1,3,5-trien-3-yl]methanimine
CID 144360493
N-[(3E)-4-fluorohexa-3,5-dien-3-yl]methanimine
CID 144473889
N-[(Z,4E)-4-(2-fluorocyclohexa-2,4-dien-1-ylidene)pent-2-en-2-yl]methanimine
CID 145509789
N-[(3E)-4-fluoro-5-methylhexa-1,3,5-trien-2-yl]methanimine
CID 169683378
N-[(3Z)-5-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine
CID 171630746
N-[(3Z)-5-fluorohexa-3,5-dien-3-yl]methanimine
CID 171630935
N-[(3E,5Z)-4-fluoro-2-methylhepta-3,5-dien-3-yl]methanimine
CID 174171277

Frequently Asked Questions

What is the IUPAC name of N-hepta-3,5-dien-3-ylmethanimine?
The IUPAC name of N-hepta-3,5-dien-3-ylmethanimine (CID 123371851) is N-hepta-3,5-dien-3-ylmethanimine.
What is the SMILES notation for N-hepta-3,5-dien-3-ylmethanimine?
The canonical SMILES for N-hepta-3,5-dien-3-ylmethanimine is C=NC(=CC=CC)CC.
What is the InChIKey of N-hepta-3,5-dien-3-ylmethanimine?
The InChIKey is HCNSBYBJRRINNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-4-6-7-8(5-2)9-3/h4,6-7H,3,5H2,1-2H3.
What are the key properties of N-hepta-3,5-dien-3-ylmethanimine?
N-hepta-3,5-dien-3-ylmethanimine has a molecular weight of 123.20 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hepta-3,5-dien-3-ylmethanimine is sourced from PubChem (CID 123371851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).