(3Z)-N-ethenyl-3-ethylidene-1-propan-2-ylpiperidin-4-imine

C12H20N2 — CID 170634592

IUPAC(3Z)-N-ethenyl-3-ethylidene-1-propan-2-ylpiperidin-4-imine
SMILESC=C/N=C1\CCN(C(C)C)C\C1=C\C
InChIInChI=1S/C12H20N2/c1-5-11-9-14(10(3)4)8-7-12(11)13-6-2/h5-6,10H,2,7-9H2,1,3-4H3/b11-5-,13-12+
InChIKeyUUKBDDOGGPWVKT-PNAHKVQYSA-N
MW192.31 g/mol
LogP2.63
Rot. Bonds2

About (3Z)-N-ethenyl-3-ethylidene-1-propan-2-ylpiperidin-4-imine

(3Z)-N-ethenyl-3-ethylidene-1-propan-2-ylpiperidin-4-imine (PubChem CID 170634592) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (3Z)-N-ethenyl-3-ethylidene-1-propan-2-ylpiperidin-4-imine.

Molecular Properties

Compound Name(3Z)-N-ethenyl-3-ethylidene-1-propan-2-ylpiperidin-4-imine
PubChem CID170634592
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(3Z)-N-ethenyl-3-ethylidene-1-propan-2-ylpiperidin-4-imine
SMILESC=C/N=C1\CCN(C(C)C)C\C1=C\C
InChIInChI=1S/C12H20N2/c1-5-11-9-14(10(3)4)8-7-12(11)13-6-2/h5-6,10H,2,7-9H2,1,3-4H3/b11-5-,13-12+
InChIKeyUUKBDDOGGPWVKT-PNAHKVQYSA-N
XLogP2.63
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N-ethenyl-3-ethylidene-1-propan-2-ylpiperidin-4-imine?
The IUPAC name of (3Z)-N-ethenyl-3-ethylidene-1-propan-2-ylpiperidin-4-imine (CID 170634592) is (3Z)-N-ethenyl-3-ethylidene-1-propan-2-ylpiperidin-4-imine.
What is the SMILES notation for (3Z)-N-ethenyl-3-ethylidene-1-propan-2-ylpiperidin-4-imine?
The canonical SMILES for (3Z)-N-ethenyl-3-ethylidene-1-propan-2-ylpiperidin-4-imine is C=C/N=C1\CCN(C(C)C)C\C1=C\C.
What is the InChIKey of (3Z)-N-ethenyl-3-ethylidene-1-propan-2-ylpiperidin-4-imine?
The InChIKey is UUKBDDOGGPWVKT-PNAHKVQYSA-N. The full InChI is InChI=1S/C12H20N2/c1-5-11-9-14(10(3)4)8-7-12(11)13-6-2/h5-6,10H,2,7-9H2,1,3-4H3/b11-5-,13-12+.
What are the key properties of (3Z)-N-ethenyl-3-ethylidene-1-propan-2-ylpiperidin-4-imine?
(3Z)-N-ethenyl-3-ethylidene-1-propan-2-ylpiperidin-4-imine has a molecular weight of 192.31 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-ethenyl-3-ethylidene-1-propan-2-ylpiperidin-4-imine is sourced from PubChem (CID 170634592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).