ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-1-amine

C12H22N2 — CID 145274791

IUPACethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-1-amine
SMILESC=C/C=C1/CN(N)CC/C1=C/C.CC
InChIInChI=1S/C10H16N2.C2H6/c1-3-5-10-8-12(11)7-6-9(10)4-2;1-2/h3-5H,1,6-8,11H2,2H3;1-2H3/b9-4-,10-5-;
InChIKeyDRVNLCSEMMYLIA-DRWVTRDWSA-N
MW194.32 g/mol
LogP2.65
Rot. Bonds1

About ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-1-amine

ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-1-amine (PubChem CID 145274791) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-1-amine.

Molecular Properties

Compound Nameethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-1-amine
PubChem CID145274791
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Nameethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-1-amine
SMILESC=C/C=C1/CN(N)CC/C1=C/C.CC
InChIInChI=1S/C10H16N2.C2H6/c1-3-5-10-8-12(11)7-6-9(10)4-2;1-2/h3-5H,1,6-8,11H2,2H3;1-2H3/b9-4-,10-5-;
InChIKeyDRVNLCSEMMYLIA-DRWVTRDWSA-N
XLogP2.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

4-[(2E,4E)-5-fluoropenta-2,4-dien-2-yl]piperidin-1-amine
CID 134365634
3,4,4a,5-tetrahydro-1H-isoquinolin-2-amine
CID 67114288
(2E)-3-methylidene-2-(3-methylpentylidene)piperidin-1-amine
CID 89349405
(3E,4Z)-4-ethylidene-1-methyl-3-prop-2-enylidenepiperidine
CID 89468899
(3E,4Z)-3-ethylidene-1-methyl-4-prop-2-enylidenepiperidine
CID 89468901
(3E)-3-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepiperidine
CID 118213913
1-(Cyclohexa-1,5-dien-1-ylmethyl)-1-methylhydrazine
CID 118548974
1-ethyl-1-[(3E,4Z)-4-methyl-3-prop-2-enylidenehepta-4,6-dien-2-yl]hydrazine
CID 126712198
(3E,4Z)-1-methyl-3,4-bis(prop-2-enylidene)piperidine
CID 130279657
1-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]-1-[(2E)-2-ethylidenepentyl]-2-[(2E)-2-ethylpenta-2,4-dienyl]hydrazine
CID 139542240
7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b]pyridin-1-amine
CID 141921889
2-(Cyclohexa-1,3-dien-1-ylmethyl)-1,1-dimethylhydrazine
CID 142113090

Frequently Asked Questions

What is the IUPAC name of ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-1-amine?
The IUPAC name of ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-1-amine (CID 145274791) is ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-1-amine.
What is the SMILES notation for ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-1-amine?
The canonical SMILES for ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-1-amine is C=C/C=C1/CN(N)CC/C1=C/C.CC.
What is the InChIKey of ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-1-amine?
The InChIKey is DRVNLCSEMMYLIA-DRWVTRDWSA-N. The full InChI is InChI=1S/C10H16N2.C2H6/c1-3-5-10-8-12(11)7-6-9(10)4-2;1-2/h3-5H,1,6-8,11H2,2H3;1-2H3/b9-4-,10-5-;.
What are the key properties of ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-1-amine?
ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-1-amine has a molecular weight of 194.32 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-1-amine is sourced from PubChem (CID 145274791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).