(2Z)-N,4-dimethyl-1-piperidin-1-ylpenta-2,4-dien-1-imine

C12H20N2 — CID 171811214

IUPAC(2Z)-N,4-dimethyl-1-piperidin-1-ylpenta-2,4-dien-1-imine
SMILESC=C(C)/C=C\C(=N\C)N1CCCCC1
InChIInChI=1S/C12H20N2/c1-11(2)7-8-12(13-3)14-9-5-4-6-10-14/h7-8H,1,4-6,9-10H2,2-3H3/b8-7-,13-12-
InChIKeyKWGVXEDYDFNZPE-QOTUMQCOSA-N
MW192.31 g/mol
LogP2.63
Rot. Bonds2

About (2Z)-N,4-dimethyl-1-piperidin-1-ylpenta-2,4-dien-1-imine

(2Z)-N,4-dimethyl-1-piperidin-1-ylpenta-2,4-dien-1-imine (PubChem CID 171811214) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (2Z)-N,4-dimethyl-1-piperidin-1-ylpenta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z)-N,4-dimethyl-1-piperidin-1-ylpenta-2,4-dien-1-imine
PubChem CID171811214
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(2Z)-N,4-dimethyl-1-piperidin-1-ylpenta-2,4-dien-1-imine
SMILESC=C(C)/C=C\C(=N\C)N1CCCCC1
InChIInChI=1S/C12H20N2/c1-11(2)7-8-12(13-3)14-9-5-4-6-10-14/h7-8H,1,4-6,9-10H2,2-3H3/b8-7-,13-12-
InChIKeyKWGVXEDYDFNZPE-QOTUMQCOSA-N
XLogP2.63
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
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 ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N,4-dimethyl-1-piperidin-1-ylpenta-2,4-dien-1-imine?
The IUPAC name of (2Z)-N,4-dimethyl-1-piperidin-1-ylpenta-2,4-dien-1-imine (CID 171811214) is (2Z)-N,4-dimethyl-1-piperidin-1-ylpenta-2,4-dien-1-imine.
What is the SMILES notation for (2Z)-N,4-dimethyl-1-piperidin-1-ylpenta-2,4-dien-1-imine?
The canonical SMILES for (2Z)-N,4-dimethyl-1-piperidin-1-ylpenta-2,4-dien-1-imine is C=C(C)/C=C\C(=N\C)N1CCCCC1.
What is the InChIKey of (2Z)-N,4-dimethyl-1-piperidin-1-ylpenta-2,4-dien-1-imine?
The InChIKey is KWGVXEDYDFNZPE-QOTUMQCOSA-N. The full InChI is InChI=1S/C12H20N2/c1-11(2)7-8-12(13-3)14-9-5-4-6-10-14/h7-8H,1,4-6,9-10H2,2-3H3/b8-7-,13-12-.
What are the key properties of (2Z)-N,4-dimethyl-1-piperidin-1-ylpenta-2,4-dien-1-imine?
(2Z)-N,4-dimethyl-1-piperidin-1-ylpenta-2,4-dien-1-imine has a molecular weight of 192.31 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N,4-dimethyl-1-piperidin-1-ylpenta-2,4-dien-1-imine is sourced from PubChem (CID 171811214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).