(5Z)-N-[1-(azetidin-3-yl)ethenyl]-3-methylidenehepta-1,5-dien-4-imine

C13H18N2 — CID 144758059

IUPAC(5Z)-N-[1-(azetidin-3-yl)ethenyl]-3-methylidenehepta-1,5-dien-4-imine
SMILESC=CC(=C)C(/C=C\C)=NC(=C)C1CNC1
InChIInChI=1S/C13H18N2/c1-5-7-13(10(3)6-2)15-11(4)12-8-14-9-12/h5-7,12,14H,2-4,8-9H2,1H3/b7-5-,15-13-
InChIKeyGSRIJSJNVKCECY-PGGAFRPESA-N
MW202.30 g/mol
LogP2.48
Rot. Bonds5

About (5Z)-N-[1-(azetidin-3-yl)ethenyl]-3-methylidenehepta-1,5-dien-4-imine

(5Z)-N-[1-(azetidin-3-yl)ethenyl]-3-methylidenehepta-1,5-dien-4-imine (PubChem CID 144758059) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (5Z)-N-[1-(azetidin-3-yl)ethenyl]-3-methylidenehepta-1,5-dien-4-imine.

Molecular Properties

Compound Name(5Z)-N-[1-(azetidin-3-yl)ethenyl]-3-methylidenehepta-1,5-dien-4-imine
PubChem CID144758059
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(5Z)-N-[1-(azetidin-3-yl)ethenyl]-3-methylidenehepta-1,5-dien-4-imine
SMILESC=CC(=C)C(/C=C\C)=NC(=C)C1CNC1
InChIInChI=1S/C13H18N2/c1-5-7-13(10(3)6-2)15-11(4)12-8-14-9-12/h5-7,12,14H,2-4,8-9H2,1H3/b7-5-,15-13-
InChIKeyGSRIJSJNVKCECY-PGGAFRPESA-N
XLogP2.48
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
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

N-[1-(azetidin-3-yl)-3-methylidenepent-1-enyl]methanimine
CID 123671371
(3Z)-N-ethyl-5-ethylimino-6-methylhepta-3,6-dien-3-amine
CID 134472487
N-methyl-3-[(8-methyl-1,4a-dihydrocyclohepta[b]pyridin-4-ylidene)amino]propan-1-amine
CID 136955213
N-[1-(azetidin-3-yl)ethenyl]-6-methylidenecyclohexa-2,4-dien-1-imine
CID 144029934
(5Z)-3-methylidene-N-[1-(1-propan-2-ylazetidin-3-yl)ethenyl]hepta-1,5-dien-4-imine
CID 144758061
1-[6-[(Z)-but-2-en-2-yl]imino-3-methylcyclohexa-2,4-dien-1-yl]-N-methylmethanamine;ethane
CID 145266167
(Z)-4-(azetidin-3-yl)-4-iminobut-2-en-2-amine;ethane
CID 167485931
(Z)-4-(azetidin-3-yl)-4-methyliminobut-2-en-2-amine;ethane
CID 167486720
(Z)-N-ethyl-4-(3-methylcyclohexa-1,5-dien-1-yl)-4-methyliminobut-2-en-2-amine
CID 169906678
5-ethylimino-N,2,6-trimethylhepta-3,6-dien-3-amine
CID 173756363
3-ethylimino-1-N,6-dimethylhept-4-ene-1,5-diamine
CID 174137843
10-Propan-2-yl-2,6-diazabicyclo[5.5.0]dodeca-1,7,9,11-tetraene
CID 15204755

Frequently Asked Questions

What is the IUPAC name of (5Z)-N-[1-(azetidin-3-yl)ethenyl]-3-methylidenehepta-1,5-dien-4-imine?
The IUPAC name of (5Z)-N-[1-(azetidin-3-yl)ethenyl]-3-methylidenehepta-1,5-dien-4-imine (CID 144758059) is (5Z)-N-[1-(azetidin-3-yl)ethenyl]-3-methylidenehepta-1,5-dien-4-imine.
What is the SMILES notation for (5Z)-N-[1-(azetidin-3-yl)ethenyl]-3-methylidenehepta-1,5-dien-4-imine?
The canonical SMILES for (5Z)-N-[1-(azetidin-3-yl)ethenyl]-3-methylidenehepta-1,5-dien-4-imine is C=CC(=C)C(/C=C\C)=NC(=C)C1CNC1.
What is the InChIKey of (5Z)-N-[1-(azetidin-3-yl)ethenyl]-3-methylidenehepta-1,5-dien-4-imine?
The InChIKey is GSRIJSJNVKCECY-PGGAFRPESA-N. The full InChI is InChI=1S/C13H18N2/c1-5-7-13(10(3)6-2)15-11(4)12-8-14-9-12/h5-7,12,14H,2-4,8-9H2,1H3/b7-5-,15-13-.
What are the key properties of (5Z)-N-[1-(azetidin-3-yl)ethenyl]-3-methylidenehepta-1,5-dien-4-imine?
(5Z)-N-[1-(azetidin-3-yl)ethenyl]-3-methylidenehepta-1,5-dien-4-imine has a molecular weight of 202.30 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-N-[1-(azetidin-3-yl)ethenyl]-3-methylidenehepta-1,5-dien-4-imine is sourced from PubChem (CID 144758059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).