5-(azetidin-3-yl)-N,2-dimethylpent-2-en-1-imine

C10H18N2 — CID 123937374

IUPAC5-(azetidin-3-yl)-N,2-dimethylpent-2-en-1-imine
SMILESC/N=C/C(C)=CCCC1CNC1
InChIInChI=1S/C10H18N2/c1-9(6-11-2)4-3-5-10-7-12-8-10/h4,6,10,12H,3,5,7-8H2,1-2H3/b9-4?,11-6+
InChIKeyOHHRNRLCNZSSAW-VEOHEGGASA-N
MW166.27 g/mol
LogP1.63
Rot. Bonds4

About 5-(azetidin-3-yl)-N,2-dimethylpent-2-en-1-imine

5-(azetidin-3-yl)-N,2-dimethylpent-2-en-1-imine (PubChem CID 123937374) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-N,2-dimethylpent-2-en-1-imine.

Molecular Properties

Compound Name5-(azetidin-3-yl)-N,2-dimethylpent-2-en-1-imine
PubChem CID123937374
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name5-(azetidin-3-yl)-N,2-dimethylpent-2-en-1-imine
SMILESC/N=C/C(C)=CCCC1CNC1
InChIInChI=1S/C10H18N2/c1-9(6-11-2)4-3-5-10-7-12-8-10/h4,6,10,12H,3,5,7-8H2,1-2H3/b9-4?,11-6+
InChIKeyOHHRNRLCNZSSAW-VEOHEGGASA-N
XLogP1.63
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(azetidin-3-yl)-N-(3-methylpent-2-en-2-yl)prop-2-en-1-imine
CID 123170118
(E)-N-methyl-6-methylimino-4-propan-2-ylhex-4-en-1-amine
CID 123193034
4-(Azetidin-3-yl)-2-ethylidene-3-methylpent-3-en-1-imine
CID 123302715
3-(2,3-dihydropyridin-5-yl)-N-methylpropan-1-amine
CID 123487173
[2-(Azetidin-3-yl)-4-methylhex-4-en-3-ylidene]-methylideneazanium
CID 123518637
(E)-N,2-dimethyl-3-(methyliminomethyl)pent-3-en-1-amine
CID 129144965
3-(2,3-dihydropyridin-4-yl)-N-methylbutan-1-amine
CID 134312786
(Z)-2-methyl-4-(methyliminomethyl)-N-(2-methylpent-1-en-3-yl)hex-4-en-1-amine
CID 134339579
(Z,2Z)-4-(azetidin-3-yl)-2-ethylidene-3-methylpent-3-en-1-imine
CID 144279229
(3E,5E)-4-(azetidin-3-yl)-1-N',6-dimethyl-7-methyliminohepta-3,5-diene-1,1-diamine
CID 156088382
(Z)-N-methyl-5-(methyliminomethyl)hept-5-en-1-amine
CID 172612967
(Z)-N,2-diethyl-3-(methyliminomethyl)hex-3-en-1-amine
CID 177026198

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-N,2-dimethylpent-2-en-1-imine?
The IUPAC name of 5-(azetidin-3-yl)-N,2-dimethylpent-2-en-1-imine (CID 123937374) is 5-(azetidin-3-yl)-N,2-dimethylpent-2-en-1-imine.
What is the SMILES notation for 5-(azetidin-3-yl)-N,2-dimethylpent-2-en-1-imine?
The canonical SMILES for 5-(azetidin-3-yl)-N,2-dimethylpent-2-en-1-imine is C/N=C/C(C)=CCCC1CNC1.
What is the InChIKey of 5-(azetidin-3-yl)-N,2-dimethylpent-2-en-1-imine?
The InChIKey is OHHRNRLCNZSSAW-VEOHEGGASA-N. The full InChI is InChI=1S/C10H18N2/c1-9(6-11-2)4-3-5-10-7-12-8-10/h4,6,10,12H,3,5,7-8H2,1-2H3/b9-4?,11-6+.
What are the key properties of 5-(azetidin-3-yl)-N,2-dimethylpent-2-en-1-imine?
5-(azetidin-3-yl)-N,2-dimethylpent-2-en-1-imine has a molecular weight of 166.27 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-N,2-dimethylpent-2-en-1-imine is sourced from PubChem (CID 123937374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).