(2Z)-2-ethyl-N-methyl-4-(piperidin-4-ylmethyl)penta-2,4-dien-1-imine

C14H24N2 — CID 170059484

IUPAC(2Z)-2-ethyl-N-methyl-4-(piperidin-4-ylmethyl)penta-2,4-dien-1-imine
SMILESC=C(/C=C(\C=N\C)CC)CC1CCNCC1
InChIInChI=1S/C14H24N2/c1-4-13(11-15-3)9-12(2)10-14-5-7-16-8-6-14/h9,11,14,16H,2,4-8,10H2,1,3H3/b13-9-,15-11+
InChIKeyNGIBSGURVQPZQG-IXDRHEJISA-N
MW220.36 g/mol
LogP2.97
Rot. Bonds5

About (2Z)-2-ethyl-N-methyl-4-(piperidin-4-ylmethyl)penta-2,4-dien-1-imine

(2Z)-2-ethyl-N-methyl-4-(piperidin-4-ylmethyl)penta-2,4-dien-1-imine (PubChem CID 170059484) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (2Z)-2-ethyl-N-methyl-4-(piperidin-4-ylmethyl)penta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z)-2-ethyl-N-methyl-4-(piperidin-4-ylmethyl)penta-2,4-dien-1-imine
PubChem CID170059484
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(2Z)-2-ethyl-N-methyl-4-(piperidin-4-ylmethyl)penta-2,4-dien-1-imine
SMILESC=C(/C=C(\C=N\C)CC)CC1CCNCC1
InChIInChI=1S/C14H24N2/c1-4-13(11-15-3)9-12(2)10-14-5-7-16-8-6-14/h9,11,14,16H,2,4-8,10H2,1,3H3/b13-9-,15-11+
InChIKeyNGIBSGURVQPZQG-IXDRHEJISA-N
XLogP2.97
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
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)-2-ethyl-N-methyl-4-(piperidin-4-ylmethyl)penta-2,4-dien-1-imine?
The IUPAC name of (2Z)-2-ethyl-N-methyl-4-(piperidin-4-ylmethyl)penta-2,4-dien-1-imine (CID 170059484) is (2Z)-2-ethyl-N-methyl-4-(piperidin-4-ylmethyl)penta-2,4-dien-1-imine.
What is the SMILES notation for (2Z)-2-ethyl-N-methyl-4-(piperidin-4-ylmethyl)penta-2,4-dien-1-imine?
The canonical SMILES for (2Z)-2-ethyl-N-methyl-4-(piperidin-4-ylmethyl)penta-2,4-dien-1-imine is C=C(/C=C(\C=N\C)CC)CC1CCNCC1.
What is the InChIKey of (2Z)-2-ethyl-N-methyl-4-(piperidin-4-ylmethyl)penta-2,4-dien-1-imine?
The InChIKey is NGIBSGURVQPZQG-IXDRHEJISA-N. The full InChI is InChI=1S/C14H24N2/c1-4-13(11-15-3)9-12(2)10-14-5-7-16-8-6-14/h9,11,14,16H,2,4-8,10H2,1,3H3/b13-9-,15-11+.
What are the key properties of (2Z)-2-ethyl-N-methyl-4-(piperidin-4-ylmethyl)penta-2,4-dien-1-imine?
(2Z)-2-ethyl-N-methyl-4-(piperidin-4-ylmethyl)penta-2,4-dien-1-imine has a molecular weight of 220.36 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethyl-N-methyl-4-(piperidin-4-ylmethyl)penta-2,4-dien-1-imine is sourced from PubChem (CID 170059484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).