ethane;(3Z)-N-ethyl-3-ethylidene-1-propan-2-ylpiperidin-4-imine

C14H28N2 — CID 170634196

IUPACethane;(3Z)-N-ethyl-3-ethylidene-1-propan-2-ylpiperidin-4-imine
SMILESC/C=C1/CN(C(C)C)CC/C1=N\CC.CC
InChIInChI=1S/C12H22N2.C2H6/c1-5-11-9-14(10(3)4)8-7-12(11)13-6-2;1-2/h5,10H,6-9H2,1-4H3;1-2H3/b11-5-,13-12+;
InChIKeyZOODZWNWGXROGW-GFHYHYRTSA-N
MW224.39 g/mol
LogP3.53
Rot. Bonds2

About ethane;(3Z)-N-ethyl-3-ethylidene-1-propan-2-ylpiperidin-4-imine

ethane;(3Z)-N-ethyl-3-ethylidene-1-propan-2-ylpiperidin-4-imine (PubChem CID 170634196) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is ethane;(3Z)-N-ethyl-3-ethylidene-1-propan-2-ylpiperidin-4-imine.

Molecular Properties

Compound Nameethane;(3Z)-N-ethyl-3-ethylidene-1-propan-2-ylpiperidin-4-imine
PubChem CID170634196
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Nameethane;(3Z)-N-ethyl-3-ethylidene-1-propan-2-ylpiperidin-4-imine
SMILESC/C=C1/CN(C(C)C)CC/C1=N\CC.CC
InChIInChI=1S/C12H22N2.C2H6/c1-5-11-9-14(10(3)4)8-7-12(11)13-6-2;1-2/h5,10H,6-9H2,1-4H3;1-2H3/b11-5-,13-12+;
InChIKeyZOODZWNWGXROGW-GFHYHYRTSA-N
XLogP3.53
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N,N-dipropyl-4,5,6,7-tetrahydro-2H-indol-5-amine
CID 23463958
2-(1-ethylpiperidin-4-yl)-2H-indole
CID 57002424
5-Propan-2-yl-2,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 57530991
6-Propan-2-yl-2,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
CID 57531003
1,3-Di(propan-2-ylidene)piperidin-1-ium
CID 58355855
carbanide;4-(5-methyl-2H-pyrrol-3-yl)piperidin-1-ide;tungsten(2+)
CID 58578255
2,8-Dimethyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole
CID 67309399
1,7-Diazatricyclo[6.2.2.23,6]tetradeca-3(14),4,6-triene
CID 68084730
2-Methyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole
CID 68924582
2-Ethyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole
CID 69207768
(NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propylidene]hydroxylamine
CID 88630952
N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propylidene]hydroxylamine
CID 88630953

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-N-ethyl-3-ethylidene-1-propan-2-ylpiperidin-4-imine?
The IUPAC name of ethane;(3Z)-N-ethyl-3-ethylidene-1-propan-2-ylpiperidin-4-imine (CID 170634196) is ethane;(3Z)-N-ethyl-3-ethylidene-1-propan-2-ylpiperidin-4-imine.
What is the SMILES notation for ethane;(3Z)-N-ethyl-3-ethylidene-1-propan-2-ylpiperidin-4-imine?
The canonical SMILES for ethane;(3Z)-N-ethyl-3-ethylidene-1-propan-2-ylpiperidin-4-imine is C/C=C1/CN(C(C)C)CC/C1=N\CC.CC.
What is the InChIKey of ethane;(3Z)-N-ethyl-3-ethylidene-1-propan-2-ylpiperidin-4-imine?
The InChIKey is ZOODZWNWGXROGW-GFHYHYRTSA-N. The full InChI is InChI=1S/C12H22N2.C2H6/c1-5-11-9-14(10(3)4)8-7-12(11)13-6-2;1-2/h5,10H,6-9H2,1-4H3;1-2H3/b11-5-,13-12+;.
What are the key properties of ethane;(3Z)-N-ethyl-3-ethylidene-1-propan-2-ylpiperidin-4-imine?
ethane;(3Z)-N-ethyl-3-ethylidene-1-propan-2-ylpiperidin-4-imine has a molecular weight of 224.39 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-N-ethyl-3-ethylidene-1-propan-2-ylpiperidin-4-imine is sourced from PubChem (CID 170634196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).