(2Z,4E)-N-(1-methylpiperidin-4-yl)-2-propan-2-ylhexa-2,4-dien-1-imine

C15H26N2 — CID 144610727

IUPAC(2Z,4E)-N-(1-methylpiperidin-4-yl)-2-propan-2-ylhexa-2,4-dien-1-imine
SMILESC/C=C/C=C(\C=N\C1CCN(C)CC1)C(C)C
InChIInChI=1S/C15H26N2/c1-5-6-7-14(13(2)3)12-16-15-8-10-17(4)11-9-15/h5-7,12-13,15H,8-11H2,1-4H3/b6-5+,14-7+,16-12+
InChIKeyQMEONAHDJZOJHJ-PHJJHUJESA-N
MW234.39 g/mol
LogP3.31
Rot. Bonds4

About (2Z,4E)-N-(1-methylpiperidin-4-yl)-2-propan-2-ylhexa-2,4-dien-1-imine

(2Z,4E)-N-(1-methylpiperidin-4-yl)-2-propan-2-ylhexa-2,4-dien-1-imine (PubChem CID 144610727) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (2Z,4E)-N-(1-methylpiperidin-4-yl)-2-propan-2-ylhexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4E)-N-(1-methylpiperidin-4-yl)-2-propan-2-ylhexa-2,4-dien-1-imine
PubChem CID144610727
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name(2Z,4E)-N-(1-methylpiperidin-4-yl)-2-propan-2-ylhexa-2,4-dien-1-imine
SMILESC/C=C/C=C(\C=N\C1CCN(C)CC1)C(C)C
InChIInChI=1S/C15H26N2/c1-5-6-7-14(13(2)3)12-16-15-8-10-17(4)11-9-15/h5-7,12-13,15H,8-11H2,1-4H3/b6-5+,14-7+,16-12+
InChIKeyQMEONAHDJZOJHJ-PHJJHUJESA-N
XLogP3.31
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-N-(1-methylpiperidin-4-yl)-2-propan-2-ylhexa-2,4-dien-1-imine?
The IUPAC name of (2Z,4E)-N-(1-methylpiperidin-4-yl)-2-propan-2-ylhexa-2,4-dien-1-imine (CID 144610727) is (2Z,4E)-N-(1-methylpiperidin-4-yl)-2-propan-2-ylhexa-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4E)-N-(1-methylpiperidin-4-yl)-2-propan-2-ylhexa-2,4-dien-1-imine?
The canonical SMILES for (2Z,4E)-N-(1-methylpiperidin-4-yl)-2-propan-2-ylhexa-2,4-dien-1-imine is C/C=C/C=C(\C=N\C1CCN(C)CC1)C(C)C.
What is the InChIKey of (2Z,4E)-N-(1-methylpiperidin-4-yl)-2-propan-2-ylhexa-2,4-dien-1-imine?
The InChIKey is QMEONAHDJZOJHJ-PHJJHUJESA-N. The full InChI is InChI=1S/C15H26N2/c1-5-6-7-14(13(2)3)12-16-15-8-10-17(4)11-9-15/h5-7,12-13,15H,8-11H2,1-4H3/b6-5+,14-7+,16-12+.
What are the key properties of (2Z,4E)-N-(1-methylpiperidin-4-yl)-2-propan-2-ylhexa-2,4-dien-1-imine?
(2Z,4E)-N-(1-methylpiperidin-4-yl)-2-propan-2-ylhexa-2,4-dien-1-imine has a molecular weight of 234.39 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N-(1-methylpiperidin-4-yl)-2-propan-2-ylhexa-2,4-dien-1-imine is sourced from PubChem (CID 144610727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).