(Z)-3-(2-azabicyclo[2.2.1]hept-5-en-6-yl)-N-ethylpent-3-en-2-imine

C13H20N2 — CID 177350750

IUPAC(Z)-3-(2-azabicyclo[2.2.1]hept-5-en-6-yl)-N-ethylpent-3-en-2-imine
SMILESC/C=C(C1=CC2CNC1C2)\C(C)=N\CC
InChIInChI=1S/C13H20N2/c1-4-11(9(3)14-5-2)12-6-10-7-13(12)15-8-10/h4,6,10,13,15H,5,7-8H2,1-3H3/b11-4+,14-9+
InChIKeyULXXEIFKVUMLRF-WSGWXLGMSA-N
MW204.32 g/mol
LogP2.33
Rot. Bonds3

About (Z)-3-(2-azabicyclo[2.2.1]hept-5-en-6-yl)-N-ethylpent-3-en-2-imine

(Z)-3-(2-azabicyclo[2.2.1]hept-5-en-6-yl)-N-ethylpent-3-en-2-imine (PubChem CID 177350750) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (Z)-3-(2-azabicyclo[2.2.1]hept-5-en-6-yl)-N-ethylpent-3-en-2-imine.

Molecular Properties

Compound Name(Z)-3-(2-azabicyclo[2.2.1]hept-5-en-6-yl)-N-ethylpent-3-en-2-imine
PubChem CID177350750
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(Z)-3-(2-azabicyclo[2.2.1]hept-5-en-6-yl)-N-ethylpent-3-en-2-imine
SMILESC/C=C(C1=CC2CNC1C2)\C(C)=N\CC
InChIInChI=1S/C13H20N2/c1-4-11(9(3)14-5-2)12-6-10-7-13(12)15-8-10/h4,6,10,13,15H,5,7-8H2,1-3H3/b11-4+,14-9+
InChIKeyULXXEIFKVUMLRF-WSGWXLGMSA-N
XLogP2.33
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.33
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

(Z)-N-ethyl-3-fluoro-4-(2-propan-2-yl-2-azabicyclo[2.2.1]hept-5-en-6-yl)hex-3-en-2-imine
CID 177351414
2,3-Dimethyl-4-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)-2,3-dihydropyridine
CID 162608256
1,2,3,3a,4,5,5a,5b-Octahydropyrrolo[3,2-a]carbazole
CID 70290535
4-methyl-6-[[(3R)-pyrrolidin-3-yl]methyl]-2,3-dihydropyridin-2-amine
CID 89037011
2-pyrrolidin-2-yl-3a,7a-dihydro-3H-indole
CID 90710165
6,8-dimethyl-2,3,4,5a,6,9b-hexahydro-1H-pyrido[4,3-b]indole
CID 91352720
2-[(2S)-pyrrolidin-2-yl]-3a,7a-dihydro-3H-indole
CID 123606898
1-(2,3,3a,4,5,6,7,9b-octahydro-1H-benzo[e]indol-9-yl)ethanimine
CID 123691188
2,6-Dimethyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine
CID 135135116
butane;(4Z)-1-(4,5-dimethylpyrrolidin-3-yl)-3-propan-2-ylidene-N-prop-1-en-2-ylhepta-4,6-dien-2-imine;ethane
CID 141901858
(6Z)-6-ethylidene-N-methyl-4-pyrrolidin-2-ylcyclohexa-2,4-dien-1-imine
CID 145012016
CID 145425656
CID 145425656

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-azabicyclo[2.2.1]hept-5-en-6-yl)-N-ethylpent-3-en-2-imine?
The IUPAC name of (Z)-3-(2-azabicyclo[2.2.1]hept-5-en-6-yl)-N-ethylpent-3-en-2-imine (CID 177350750) is (Z)-3-(2-azabicyclo[2.2.1]hept-5-en-6-yl)-N-ethylpent-3-en-2-imine.
What is the SMILES notation for (Z)-3-(2-azabicyclo[2.2.1]hept-5-en-6-yl)-N-ethylpent-3-en-2-imine?
The canonical SMILES for (Z)-3-(2-azabicyclo[2.2.1]hept-5-en-6-yl)-N-ethylpent-3-en-2-imine is C/C=C(C1=CC2CNC1C2)\C(C)=N\CC.
What is the InChIKey of (Z)-3-(2-azabicyclo[2.2.1]hept-5-en-6-yl)-N-ethylpent-3-en-2-imine?
The InChIKey is ULXXEIFKVUMLRF-WSGWXLGMSA-N. The full InChI is InChI=1S/C13H20N2/c1-4-11(9(3)14-5-2)12-6-10-7-13(12)15-8-10/h4,6,10,13,15H,5,7-8H2,1-3H3/b11-4+,14-9+.
What are the key properties of (Z)-3-(2-azabicyclo[2.2.1]hept-5-en-6-yl)-N-ethylpent-3-en-2-imine?
(Z)-3-(2-azabicyclo[2.2.1]hept-5-en-6-yl)-N-ethylpent-3-en-2-imine has a molecular weight of 204.32 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-azabicyclo[2.2.1]hept-5-en-6-yl)-N-ethylpent-3-en-2-imine is sourced from PubChem (CID 177350750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).