N-methylpent-3-en-2-imine

C6H11N — CID 15325554

IUPACN-methylpent-3-en-2-imine
SMILESCC=C/C(C)=N/C
InChIInChI=1S/C6H11N/c1-4-5-6(2)7-3/h4-5H,1-3H3/b5-4?,7-6+
InChIKeyYELPSSWXBRKTMW-VFABXPAXSA-N
MW97.16 g/mol
LogP1.65
Rot. Bonds1

About N-methylpent-3-en-2-imine

N-methylpent-3-en-2-imine (PubChem CID 15325554) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is N-methylpent-3-en-2-imine.

Molecular Properties

Compound NameN-methylpent-3-en-2-imine
PubChem CID15325554
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC NameN-methylpent-3-en-2-imine
SMILESCC=C/C(C)=N/C
InChIInChI=1S/C6H11N/c1-4-5-6(2)7-3/h4-5H,1-3H3/b5-4?,7-6+
InChIKeyYELPSSWXBRKTMW-VFABXPAXSA-N
XLogP1.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methylpent-3-en-2-imine?
The IUPAC name of N-methylpent-3-en-2-imine (CID 15325554) is N-methylpent-3-en-2-imine.
What is the SMILES notation for N-methylpent-3-en-2-imine?
The canonical SMILES for N-methylpent-3-en-2-imine is CC=C/C(C)=N/C.
What is the InChIKey of N-methylpent-3-en-2-imine?
The InChIKey is YELPSSWXBRKTMW-VFABXPAXSA-N. The full InChI is InChI=1S/C6H11N/c1-4-5-6(2)7-3/h4-5H,1-3H3/b5-4?,7-6+.
What are the key properties of N-methylpent-3-en-2-imine?
N-methylpent-3-en-2-imine has a molecular weight of 97.16 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpent-3-en-2-imine is sourced from PubChem (CID 15325554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).