N-pent-4-enylmethanimine

C6H11N — CID 91017467

IUPACN-pent-4-enylmethanimine
SMILESC=CCCCN=C
InChIInChI=1S/C6H11N/c1-3-4-5-6-7-2/h3H,1-2,4-6H2
InChIKeyNTOZFLZANLDJIM-UHFFFAOYSA-N
MW97.16 g/mol
LogP1.65
Rot. Bonds4

About N-pent-4-enylmethanimine

N-pent-4-enylmethanimine (PubChem CID 91017467) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is N-pent-4-enylmethanimine.

Molecular Properties

Compound NameN-pent-4-enylmethanimine
PubChem CID91017467
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC NameN-pent-4-enylmethanimine
SMILESC=CCCCN=C
InChIInChI=1S/C6H11N/c1-3-4-5-6-7-2/h3H,1-2,4-6H2
InChIKeyNTOZFLZANLDJIM-UHFFFAOYSA-N
XLogP1.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 51.65
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-pent-4-enylmethanimine?
The IUPAC name of N-pent-4-enylmethanimine (CID 91017467) is N-pent-4-enylmethanimine.
What is the SMILES notation for N-pent-4-enylmethanimine?
The canonical SMILES for N-pent-4-enylmethanimine is C=CCCCN=C.
What is the InChIKey of N-pent-4-enylmethanimine?
The InChIKey is NTOZFLZANLDJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-3-4-5-6-7-2/h3H,1-2,4-6H2.
What are the key properties of N-pent-4-enylmethanimine?
N-pent-4-enylmethanimine has a molecular weight of 97.16 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-enylmethanimine is sourced from PubChem (CID 91017467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).