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

C10H18N2 — CID 130413541

IUPAC(3Z)-3-ethylidene-1-propan-2-ylpiperidin-4-imine
SMILES[H]/N=C1\CCN(C(C)C)C\C1=C\C
InChIInChI=1S/C10H18N2/c1-4-9-7-12(8(2)3)6-5-10(9)11/h4,8,11H,5-7H2,1-3H3/b9-4-,11-10+
InChIKeyGZDASZSOAAMEBG-OQNSZXBQSA-N
MW166.27 g/mol
LogP2.07
Rot. Bonds1

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

(3Z)-3-ethylidene-1-propan-2-ylpiperidin-4-imine (PubChem CID 130413541) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (3Z)-3-ethylidene-1-propan-2-ylpiperidin-4-imine.

Molecular Properties

Compound Name(3Z)-3-ethylidene-1-propan-2-ylpiperidin-4-imine
PubChem CID130413541
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(3Z)-3-ethylidene-1-propan-2-ylpiperidin-4-imine
SMILES[H]/N=C1\CCN(C(C)C)C\C1=C\C
InChIInChI=1S/C10H18N2/c1-4-9-7-12(8(2)3)6-5-10(9)11/h4,8,11H,5-7H2,1-3H3/b9-4-,11-10+
InChIKeyGZDASZSOAAMEBG-OQNSZXBQSA-N
XLogP2.07
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
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)-3-ethylidene-1-propan-2-ylpiperidin-4-imine?
The IUPAC name of (3Z)-3-ethylidene-1-propan-2-ylpiperidin-4-imine (CID 130413541) is (3Z)-3-ethylidene-1-propan-2-ylpiperidin-4-imine.
What is the SMILES notation for (3Z)-3-ethylidene-1-propan-2-ylpiperidin-4-imine?
The canonical SMILES for (3Z)-3-ethylidene-1-propan-2-ylpiperidin-4-imine is [H]/N=C1\CCN(C(C)C)C\C1=C\C.
What is the InChIKey of (3Z)-3-ethylidene-1-propan-2-ylpiperidin-4-imine?
The InChIKey is GZDASZSOAAMEBG-OQNSZXBQSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-9-7-12(8(2)3)6-5-10(9)11/h4,8,11H,5-7H2,1-3H3/b9-4-,11-10+.
What are the key properties of (3Z)-3-ethylidene-1-propan-2-ylpiperidin-4-imine?
(3Z)-3-ethylidene-1-propan-2-ylpiperidin-4-imine has a molecular weight of 166.27 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-1-propan-2-ylpiperidin-4-imine is sourced from PubChem (CID 130413541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).