ethane;(Z)-2-(2-ethyl-2,3,4,5-tetrahydropyridin-6-yl)ethenamine

C11H22N2 — CID 176962058

IUPACethane;(Z)-2-(2-ethyl-2,3,4,5-tetrahydropyridin-6-yl)ethenamine
SMILESCC.CCC1CCCC(/C=C\N)=N1
InChIInChI=1S/C9H16N2.C2H6/c1-2-8-4-3-5-9(11-8)6-7-10;1-2/h6-8H,2-5,10H2,1H3;1-2H3/b7-6-;
InChIKeyIAVITWMPQYQAJG-NAFXZHHSSA-N
MW182.31 g/mol
LogP2.89
Rot. Bonds2

About ethane;(Z)-2-(2-ethyl-2,3,4,5-tetrahydropyridin-6-yl)ethenamine

ethane;(Z)-2-(2-ethyl-2,3,4,5-tetrahydropyridin-6-yl)ethenamine (PubChem CID 176962058) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is ethane;(Z)-2-(2-ethyl-2,3,4,5-tetrahydropyridin-6-yl)ethenamine.

Molecular Properties

Compound Nameethane;(Z)-2-(2-ethyl-2,3,4,5-tetrahydropyridin-6-yl)ethenamine
PubChem CID176962058
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Nameethane;(Z)-2-(2-ethyl-2,3,4,5-tetrahydropyridin-6-yl)ethenamine
SMILESCC.CCC1CCCC(/C=C\N)=N1
InChIInChI=1S/C9H16N2.C2H6/c1-2-8-4-3-5-9(11-8)6-7-10;1-2/h6-8H,2-5,10H2,1H3;1-2H3/b7-6-;
InChIKeyIAVITWMPQYQAJG-NAFXZHHSSA-N
XLogP2.89
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-4-(3,4-dihydropyridin-2-yl)hex-4-en-1-amine
CID 89188331
(E)-5-(3,4-dihydropyridin-2-yl)hept-5-en-2-amine
CID 89271099
1,4-dipentyl-2H-pyrimidin-2-amine
CID 118919039
4-N-hexan-2-ylhex-5-ene-2,4-diimine
CID 123670122
(Z)-3-propan-2-yliminopent-1-en-1-amine
CID 130193662
(Z)-3-(3,4-dihydropyridin-2-yl)-3-propan-2-yliminoprop-1-en-1-amine
CID 137504069
2-(2,3,4,5-Tetrahydropyridin-6-yl)ethenamine
CID 149309867
1-(3,4-dihydropyridin-2-yl)-N-methylpropan-1-amine;ethane
CID 155735826
2-(2,3,4,5-Tetrahydropyridin-6-yl)-1,2,3,4-tetrahydropyridine
CID 163946991
ethane;(Z)-(6-ethenyl-3,4-dihydro-2H-pyridin-5-ylidene)methanamine
CID 172258894
N-octyl-3H-pyridin-4-imine
CID 172634671
3-Butyliminohex-1-ene-1,6-diamine
CID 173668240

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-2-(2-ethyl-2,3,4,5-tetrahydropyridin-6-yl)ethenamine?
The IUPAC name of ethane;(Z)-2-(2-ethyl-2,3,4,5-tetrahydropyridin-6-yl)ethenamine (CID 176962058) is ethane;(Z)-2-(2-ethyl-2,3,4,5-tetrahydropyridin-6-yl)ethenamine.
What is the SMILES notation for ethane;(Z)-2-(2-ethyl-2,3,4,5-tetrahydropyridin-6-yl)ethenamine?
The canonical SMILES for ethane;(Z)-2-(2-ethyl-2,3,4,5-tetrahydropyridin-6-yl)ethenamine is CC.CCC1CCCC(/C=C\N)=N1.
What is the InChIKey of ethane;(Z)-2-(2-ethyl-2,3,4,5-tetrahydropyridin-6-yl)ethenamine?
The InChIKey is IAVITWMPQYQAJG-NAFXZHHSSA-N. The full InChI is InChI=1S/C9H16N2.C2H6/c1-2-8-4-3-5-9(11-8)6-7-10;1-2/h6-8H,2-5,10H2,1H3;1-2H3/b7-6-;.
What are the key properties of ethane;(Z)-2-(2-ethyl-2,3,4,5-tetrahydropyridin-6-yl)ethenamine?
ethane;(Z)-2-(2-ethyl-2,3,4,5-tetrahydropyridin-6-yl)ethenamine has a molecular weight of 182.31 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-2-(2-ethyl-2,3,4,5-tetrahydropyridin-6-yl)ethenamine is sourced from PubChem (CID 176962058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).