4-(azetidin-3-yl)-2-ethylidene-3-methylpent-3-en-1-imine

C11H18N2 — CID 123302715

IUPAC4-(azetidin-3-yl)-2-ethylidene-3-methylpent-3-en-1-imine
SMILES[H]/N=C/C(=CC)C(C)=C(C)C1CNC1
InChIInChI=1S/C11H18N2/c1-4-10(5-12)8(2)9(3)11-6-13-7-11/h4-5,11-13H,6-7H2,1-3H3/b9-8?,10-4?,12-5+
InChIKeyHLGZEQABMPFOOX-JJZOHYGMSA-N
MW178.28 g/mol
LogP2.14
Rot. Bonds3

About 4-(azetidin-3-yl)-2-ethylidene-3-methylpent-3-en-1-imine

4-(azetidin-3-yl)-2-ethylidene-3-methylpent-3-en-1-imine (PubChem CID 123302715) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 4-(azetidin-3-yl)-2-ethylidene-3-methylpent-3-en-1-imine.

Molecular Properties

Compound Name4-(azetidin-3-yl)-2-ethylidene-3-methylpent-3-en-1-imine
PubChem CID123302715
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name4-(azetidin-3-yl)-2-ethylidene-3-methylpent-3-en-1-imine
SMILES[H]/N=C/C(=CC)C(C)=C(C)C1CNC1
InChIInChI=1S/C11H18N2/c1-4-10(5-12)8(2)9(3)11-6-13-7-11/h4-5,11-13H,6-7H2,1-3H3/b9-8?,10-4?,12-5+
InChIKeyHLGZEQABMPFOOX-JJZOHYGMSA-N
XLogP2.14
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', '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
5-(azetidin-3-yl)-N,2-dimethylpent-2-en-1-imine
CID 123937374
(E)-N,2-dimethyl-3-(methyliminomethyl)pent-3-en-1-amine
CID 129144965
(2Z)-2-ethylidene-3-methanimidoyl-N,4-dimethylpent-3-en-1-amine
CID 143803587
(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
(2R,3E,5Z)-2-ethyl-5-methanimidoyl-N-methylhepta-3,5-dien-1-amine
CID 166689436
(4Z,6Z)-4-methanimidoyl-N,6-dimethylocta-4,6-dien-1-amine
CID 167135277
(Z)-4-methanimidoyl-N,5-dimethylhex-3-en-1-amine
CID 167231481

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yl)-2-ethylidene-3-methylpent-3-en-1-imine?
The IUPAC name of 4-(azetidin-3-yl)-2-ethylidene-3-methylpent-3-en-1-imine (CID 123302715) is 4-(azetidin-3-yl)-2-ethylidene-3-methylpent-3-en-1-imine.
What is the SMILES notation for 4-(azetidin-3-yl)-2-ethylidene-3-methylpent-3-en-1-imine?
The canonical SMILES for 4-(azetidin-3-yl)-2-ethylidene-3-methylpent-3-en-1-imine is [H]/N=C/C(=CC)C(C)=C(C)C1CNC1.
What is the InChIKey of 4-(azetidin-3-yl)-2-ethylidene-3-methylpent-3-en-1-imine?
The InChIKey is HLGZEQABMPFOOX-JJZOHYGMSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-10(5-12)8(2)9(3)11-6-13-7-11/h4-5,11-13H,6-7H2,1-3H3/b9-8?,10-4?,12-5+.
What are the key properties of 4-(azetidin-3-yl)-2-ethylidene-3-methylpent-3-en-1-imine?
4-(azetidin-3-yl)-2-ethylidene-3-methylpent-3-en-1-imine has a molecular weight of 178.28 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yl)-2-ethylidene-3-methylpent-3-en-1-imine is sourced from PubChem (CID 123302715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).