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

C15H26N2 — CID 177350749

IUPAC(Z)-3-(2-azabicyclo[2.2.1]hept-5-en-6-yl)-N-ethylpent-3-en-2-imine;ethane
SMILESC/C=C(C1=CC2CNC1C2)\C(C)=N\CC.CC
InChIInChI=1S/C13H20N2.C2H6/c1-4-11(9(3)14-5-2)12-6-10-7-13(12)15-8-10;1-2/h4,6,10,13,15H,5,7-8H2,1-3H3;1-2H3/b11-4+,14-9+;
InChIKeyHACGUANDHHSAOR-FVTMCAFCSA-N
MW234.39 g/mol
LogP3.36
Rot. Bonds3

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

(Z)-3-(2-azabicyclo[2.2.1]hept-5-en-6-yl)-N-ethylpent-3-en-2-imine;ethane (PubChem CID 177350749) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (Z)-3-(2-azabicyclo[2.2.1]hept-5-en-6-yl)-N-ethylpent-3-en-2-imine;ethane.

Molecular Properties

Compound Name(Z)-3-(2-azabicyclo[2.2.1]hept-5-en-6-yl)-N-ethylpent-3-en-2-imine;ethane
PubChem CID177350749
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name(Z)-3-(2-azabicyclo[2.2.1]hept-5-en-6-yl)-N-ethylpent-3-en-2-imine;ethane
SMILESC/C=C(C1=CC2CNC1C2)\C(C)=N\CC.CC
InChIInChI=1S/C13H20N2.C2H6/c1-4-11(9(3)14-5-2)12-6-10-7-13(12)15-8-10;1-2/h4,6,10,13,15H,5,7-8H2,1-3H3;1-2H3/b11-4+,14-9+;
InChIKeyHACGUANDHHSAOR-FVTMCAFCSA-N
XLogP3.36
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.36
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;ethane?
The IUPAC name of (Z)-3-(2-azabicyclo[2.2.1]hept-5-en-6-yl)-N-ethylpent-3-en-2-imine;ethane (CID 177350749) is (Z)-3-(2-azabicyclo[2.2.1]hept-5-en-6-yl)-N-ethylpent-3-en-2-imine;ethane.
What is the SMILES notation for (Z)-3-(2-azabicyclo[2.2.1]hept-5-en-6-yl)-N-ethylpent-3-en-2-imine;ethane?
The canonical SMILES for (Z)-3-(2-azabicyclo[2.2.1]hept-5-en-6-yl)-N-ethylpent-3-en-2-imine;ethane is C/C=C(C1=CC2CNC1C2)\C(C)=N\CC.CC.
What is the InChIKey of (Z)-3-(2-azabicyclo[2.2.1]hept-5-en-6-yl)-N-ethylpent-3-en-2-imine;ethane?
The InChIKey is HACGUANDHHSAOR-FVTMCAFCSA-N. The full InChI is InChI=1S/C13H20N2.C2H6/c1-4-11(9(3)14-5-2)12-6-10-7-13(12)15-8-10;1-2/h4,6,10,13,15H,5,7-8H2,1-3H3;1-2H3/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;ethane?
(Z)-3-(2-azabicyclo[2.2.1]hept-5-en-6-yl)-N-ethylpent-3-en-2-imine;ethane has a molecular weight of 234.39 g/mol, XLogP of 3.36, 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;ethane is sourced from PubChem (CID 177350749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).