N-hex-5-enylmethanimine

C7H13N — CID 143379332

IUPACN-hex-5-enylmethanimine
SMILESC=CCCCCN=C
InChIInChI=1S/C7H13N/c1-3-4-5-6-7-8-2/h3H,1-2,4-7H2
InChIKeyXVPCBWRQKVRZOP-UHFFFAOYSA-N
MW111.19 g/mol
LogP2.04
Rot. Bonds5

About N-hex-5-enylmethanimine

N-hex-5-enylmethanimine (PubChem CID 143379332) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is N-hex-5-enylmethanimine.

Molecular Properties

Compound NameN-hex-5-enylmethanimine
PubChem CID143379332
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC NameN-hex-5-enylmethanimine
SMILESC=CCCCCN=C
InChIInChI=1S/C7H13N/c1-3-4-5-6-7-8-2/h3H,1-2,4-7H2
InChIKeyXVPCBWRQKVRZOP-UHFFFAOYSA-N
XLogP2.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 52.04
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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Frequently Asked Questions

What is the IUPAC name of N-hex-5-enylmethanimine?
The IUPAC name of N-hex-5-enylmethanimine (CID 143379332) is N-hex-5-enylmethanimine.
What is the SMILES notation for N-hex-5-enylmethanimine?
The canonical SMILES for N-hex-5-enylmethanimine is C=CCCCCN=C.
What is the InChIKey of N-hex-5-enylmethanimine?
The InChIKey is XVPCBWRQKVRZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-3-4-5-6-7-8-2/h3H,1-2,4-7H2.
What are the key properties of N-hex-5-enylmethanimine?
N-hex-5-enylmethanimine has a molecular weight of 111.19 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-enylmethanimine is sourced from PubChem (CID 143379332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).