1-(azetidin-1-yl)-N-methylpent-2-en-1-imine

C9H16N2 — CID 123472124

IUPAC1-(azetidin-1-yl)-N-methylpent-2-en-1-imine
SMILESCCC=C/C(=N\C)N1CCC1
InChIInChI=1S/C9H16N2/c1-3-4-6-9(10-2)11-7-5-8-11/h4,6H,3,5,7-8H2,1-2H3/b6-4?,10-9+
InChIKeyRVWRMMKFHKLKRH-VLFDQKLASA-N
MW152.24 g/mol
LogP1.69
Rot. Bonds2

About 1-(azetidin-1-yl)-N-methylpent-2-en-1-imine

1-(azetidin-1-yl)-N-methylpent-2-en-1-imine (PubChem CID 123472124) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-N-methylpent-2-en-1-imine.

Molecular Properties

Compound Name1-(azetidin-1-yl)-N-methylpent-2-en-1-imine
PubChem CID123472124
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-(azetidin-1-yl)-N-methylpent-2-en-1-imine
SMILESCCC=C/C(=N\C)N1CCC1
InChIInChI=1S/C9H16N2/c1-3-4-6-9(10-2)11-7-5-8-11/h4,6H,3,5,7-8H2,1-2H3/b6-4?,10-9+
InChIKeyRVWRMMKFHKLKRH-VLFDQKLASA-N
XLogP1.69
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-N-methylpent-2-en-1-imine?
The IUPAC name of 1-(azetidin-1-yl)-N-methylpent-2-en-1-imine (CID 123472124) is 1-(azetidin-1-yl)-N-methylpent-2-en-1-imine.
What is the SMILES notation for 1-(azetidin-1-yl)-N-methylpent-2-en-1-imine?
The canonical SMILES for 1-(azetidin-1-yl)-N-methylpent-2-en-1-imine is CCC=C/C(=N\C)N1CCC1.
What is the InChIKey of 1-(azetidin-1-yl)-N-methylpent-2-en-1-imine?
The InChIKey is RVWRMMKFHKLKRH-VLFDQKLASA-N. The full InChI is InChI=1S/C9H16N2/c1-3-4-6-9(10-2)11-7-5-8-11/h4,6H,3,5,7-8H2,1-2H3/b6-4?,10-9+.
What are the key properties of 1-(azetidin-1-yl)-N-methylpent-2-en-1-imine?
1-(azetidin-1-yl)-N-methylpent-2-en-1-imine has a molecular weight of 152.24 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-N-methylpent-2-en-1-imine is sourced from PubChem (CID 123472124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).