N-hept-6-enylmethanimine

C8H15N — CID 154451415

IUPACN-hept-6-enylmethanimine
SMILESC=CCCCCCN=C
InChIInChI=1S/C8H15N/c1-3-4-5-6-7-8-9-2/h3H,1-2,4-8H2
InChIKeyUEONXCOFVMLPOT-UHFFFAOYSA-N
MW125.22 g/mol
LogP2.43
Rot. Bonds6

About N-hept-6-enylmethanimine

N-hept-6-enylmethanimine (PubChem CID 154451415) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is N-hept-6-enylmethanimine.

Molecular Properties

Compound NameN-hept-6-enylmethanimine
PubChem CID154451415
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC NameN-hept-6-enylmethanimine
SMILESC=CCCCCCN=C
InChIInChI=1S/C8H15N/c1-3-4-5-6-7-8-9-2/h3H,1-2,4-8H2
InChIKeyUEONXCOFVMLPOT-UHFFFAOYSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-Isothiocyanatohept-1-ene
CID 11571834
N-hex-5-enylethenimine
CID 59819025
N-pent-4-enylmethanimine
CID 91017467
N-hept-6-en-3-ylmethanimine
CID 91148336
N-hept-1-en-3-ylmethanimine
CID 91437771
N-hept-5-enylmethanimine
CID 123653504
N-oct-1-en-4-ylmethanimine
CID 124181393
N-octa-1,7-dien-4-ylmethanimine
CID 124181449
N-hept-1-en-4-ylmethanimine
CID 124182016
7-Isocyanatohept-1-ene
CID 129984578
8-Isothiocyanatooct-1-ene
CID 139797538
N-hex-5-enylmethanimine
CID 143379332

Frequently Asked Questions

What is the IUPAC name of N-hept-6-enylmethanimine?
The IUPAC name of N-hept-6-enylmethanimine (CID 154451415) is N-hept-6-enylmethanimine.
What is the SMILES notation for N-hept-6-enylmethanimine?
The canonical SMILES for N-hept-6-enylmethanimine is C=CCCCCCN=C.
What is the InChIKey of N-hept-6-enylmethanimine?
The InChIKey is UEONXCOFVMLPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-3-4-5-6-7-8-9-2/h3H,1-2,4-8H2.
What are the key properties of N-hept-6-enylmethanimine?
N-hept-6-enylmethanimine has a molecular weight of 125.22 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hept-6-enylmethanimine is sourced from PubChem (CID 154451415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).