(E,Z)-1-(3,4-dimethylpiperidin-1-yl)-N-(methylideneamino)pent-2-en-1-imine

C13H23N3 — CID 170638820

IUPAC(E,Z)-1-(3,4-dimethylpiperidin-1-yl)-N-(methylideneamino)pent-2-en-1-imine
SMILESC=N/N=C(\C=C/CC)N1CCC(C)C(C)C1
InChIInChI=1S/C13H23N3/c1-5-6-7-13(15-14-4)16-9-8-11(2)12(3)10-16/h6-7,11-12H,4-5,8-10H2,1-3H3/b7-6-,15-13+
InChIKeyVTFFQFNSVCZSEL-KCULAGMESA-N
MW221.35 g/mol
LogP2.94
Rot. Bonds3

About (E,Z)-1-(3,4-dimethylpiperidin-1-yl)-N-(methylideneamino)pent-2-en-1-imine

(E,Z)-1-(3,4-dimethylpiperidin-1-yl)-N-(methylideneamino)pent-2-en-1-imine (PubChem CID 170638820) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is (E,Z)-1-(3,4-dimethylpiperidin-1-yl)-N-(methylideneamino)pent-2-en-1-imine.

Molecular Properties

Compound Name(E,Z)-1-(3,4-dimethylpiperidin-1-yl)-N-(methylideneamino)pent-2-en-1-imine
PubChem CID170638820
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name(E,Z)-1-(3,4-dimethylpiperidin-1-yl)-N-(methylideneamino)pent-2-en-1-imine
SMILESC=N/N=C(\C=C/CC)N1CCC(C)C(C)C1
InChIInChI=1S/C13H23N3/c1-5-6-7-13(15-14-4)16-9-8-11(2)12(3)10-16/h6-7,11-12H,4-5,8-10H2,1-3H3/b7-6-,15-13+
InChIKeyVTFFQFNSVCZSEL-KCULAGMESA-N
XLogP2.94
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,Z)-1-(3,4-dimethylpiperidin-1-yl)-N-(methylideneamino)pent-2-en-1-imine?
The IUPAC name of (E,Z)-1-(3,4-dimethylpiperidin-1-yl)-N-(methylideneamino)pent-2-en-1-imine (CID 170638820) is (E,Z)-1-(3,4-dimethylpiperidin-1-yl)-N-(methylideneamino)pent-2-en-1-imine.
What is the SMILES notation for (E,Z)-1-(3,4-dimethylpiperidin-1-yl)-N-(methylideneamino)pent-2-en-1-imine?
The canonical SMILES for (E,Z)-1-(3,4-dimethylpiperidin-1-yl)-N-(methylideneamino)pent-2-en-1-imine is C=N/N=C(\C=C/CC)N1CCC(C)C(C)C1.
What is the InChIKey of (E,Z)-1-(3,4-dimethylpiperidin-1-yl)-N-(methylideneamino)pent-2-en-1-imine?
The InChIKey is VTFFQFNSVCZSEL-KCULAGMESA-N. The full InChI is InChI=1S/C13H23N3/c1-5-6-7-13(15-14-4)16-9-8-11(2)12(3)10-16/h6-7,11-12H,4-5,8-10H2,1-3H3/b7-6-,15-13+.
What are the key properties of (E,Z)-1-(3,4-dimethylpiperidin-1-yl)-N-(methylideneamino)pent-2-en-1-imine?
(E,Z)-1-(3,4-dimethylpiperidin-1-yl)-N-(methylideneamino)pent-2-en-1-imine has a molecular weight of 221.35 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,Z)-1-(3,4-dimethylpiperidin-1-yl)-N-(methylideneamino)pent-2-en-1-imine is sourced from PubChem (CID 170638820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).