(Z)-N'-methylidene-N-[(4-methylpiperidin-1-yl)methyl]prop-2-ene-1,3-diimine

C11H19N3 — CID 174108794

IUPAC(Z)-N'-methylidene-N-[(4-methylpiperidin-1-yl)methyl]prop-2-ene-1,3-diimine
SMILESC=N/C=C\C=NCN1CCC(C)CC1
InChIInChI=1S/C11H19N3/c1-11-4-8-14(9-5-11)10-13-7-3-6-12-2/h3,6-7,11H,2,4-5,8-10H2,1H3/b6-3-,13-7?
InChIKeyKKTXAGWAVVYQNK-NRYVAYCCSA-N
MW193.29 g/mol
LogP1.96
Rot. Bonds4

About (Z)-N'-methylidene-N-[(4-methylpiperidin-1-yl)methyl]prop-2-ene-1,3-diimine

(Z)-N'-methylidene-N-[(4-methylpiperidin-1-yl)methyl]prop-2-ene-1,3-diimine (PubChem CID 174108794) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is (Z)-N'-methylidene-N-[(4-methylpiperidin-1-yl)methyl]prop-2-ene-1,3-diimine.

Molecular Properties

Compound Name(Z)-N'-methylidene-N-[(4-methylpiperidin-1-yl)methyl]prop-2-ene-1,3-diimine
PubChem CID174108794
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name(Z)-N'-methylidene-N-[(4-methylpiperidin-1-yl)methyl]prop-2-ene-1,3-diimine
SMILESC=N/C=C\C=NCN1CCC(C)CC1
InChIInChI=1S/C11H19N3/c1-11-4-8-14(9-5-11)10-13-7-3-6-12-2/h3,6-7,11H,2,4-5,8-10H2,1H3/b6-3-,13-7?
InChIKeyKKTXAGWAVVYQNK-NRYVAYCCSA-N
XLogP1.96
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (Z)-N'-methylidene-N-[(4-methylpiperidin-1-yl)methyl]prop-2-ene-1,3-diimine?
The IUPAC name of (Z)-N'-methylidene-N-[(4-methylpiperidin-1-yl)methyl]prop-2-ene-1,3-diimine (CID 174108794) is (Z)-N'-methylidene-N-[(4-methylpiperidin-1-yl)methyl]prop-2-ene-1,3-diimine.
What is the SMILES notation for (Z)-N'-methylidene-N-[(4-methylpiperidin-1-yl)methyl]prop-2-ene-1,3-diimine?
The canonical SMILES for (Z)-N'-methylidene-N-[(4-methylpiperidin-1-yl)methyl]prop-2-ene-1,3-diimine is C=N/C=C\C=NCN1CCC(C)CC1.
What is the InChIKey of (Z)-N'-methylidene-N-[(4-methylpiperidin-1-yl)methyl]prop-2-ene-1,3-diimine?
The InChIKey is KKTXAGWAVVYQNK-NRYVAYCCSA-N. The full InChI is InChI=1S/C11H19N3/c1-11-4-8-14(9-5-11)10-13-7-3-6-12-2/h3,6-7,11H,2,4-5,8-10H2,1H3/b6-3-,13-7?.
What are the key properties of (Z)-N'-methylidene-N-[(4-methylpiperidin-1-yl)methyl]prop-2-ene-1,3-diimine?
(Z)-N'-methylidene-N-[(4-methylpiperidin-1-yl)methyl]prop-2-ene-1,3-diimine has a molecular weight of 193.29 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-methylidene-N-[(4-methylpiperidin-1-yl)methyl]prop-2-ene-1,3-diimine is sourced from PubChem (CID 174108794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).