(Z)-N,5-dimethyl-4-methylidene-1-(4-methylpiperazin-1-yl)hex-2-en-1-imine

C14H25N3 — CID 155198666

IUPAC(Z)-N,5-dimethyl-4-methylidene-1-(4-methylpiperazin-1-yl)hex-2-en-1-imine
SMILESC=C(/C=C\C(=N\C)N1CCN(C)CC1)C(C)C
InChIInChI=1S/C14H25N3/c1-12(2)13(3)6-7-14(15-4)17-10-8-16(5)9-11-17/h6-7,12H,3,8-11H2,1-2,4-5H3/b7-6-,15-14-
InChIKeyJFZADSNDLRPHKV-HXDWTSBLSA-N
MW235.38 g/mol
LogP2.03
Rot. Bonds3

About (Z)-N,5-dimethyl-4-methylidene-1-(4-methylpiperazin-1-yl)hex-2-en-1-imine

(Z)-N,5-dimethyl-4-methylidene-1-(4-methylpiperazin-1-yl)hex-2-en-1-imine (PubChem CID 155198666) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is (Z)-N,5-dimethyl-4-methylidene-1-(4-methylpiperazin-1-yl)hex-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N,5-dimethyl-4-methylidene-1-(4-methylpiperazin-1-yl)hex-2-en-1-imine
PubChem CID155198666
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name(Z)-N,5-dimethyl-4-methylidene-1-(4-methylpiperazin-1-yl)hex-2-en-1-imine
SMILESC=C(/C=C\C(=N\C)N1CCN(C)CC1)C(C)C
InChIInChI=1S/C14H25N3/c1-12(2)13(3)6-7-14(15-4)17-10-8-16(5)9-11-17/h6-7,12H,3,8-11H2,1-2,4-5H3/b7-6-,15-14-
InChIKeyJFZADSNDLRPHKV-HXDWTSBLSA-N
XLogP2.03
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.03
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N,5-dimethyl-4-methylidene-1-(4-methylpiperazin-1-yl)hex-2-en-1-imine?
The IUPAC name of (Z)-N,5-dimethyl-4-methylidene-1-(4-methylpiperazin-1-yl)hex-2-en-1-imine (CID 155198666) is (Z)-N,5-dimethyl-4-methylidene-1-(4-methylpiperazin-1-yl)hex-2-en-1-imine.
What is the SMILES notation for (Z)-N,5-dimethyl-4-methylidene-1-(4-methylpiperazin-1-yl)hex-2-en-1-imine?
The canonical SMILES for (Z)-N,5-dimethyl-4-methylidene-1-(4-methylpiperazin-1-yl)hex-2-en-1-imine is C=C(/C=C\C(=N\C)N1CCN(C)CC1)C(C)C.
What is the InChIKey of (Z)-N,5-dimethyl-4-methylidene-1-(4-methylpiperazin-1-yl)hex-2-en-1-imine?
The InChIKey is JFZADSNDLRPHKV-HXDWTSBLSA-N. The full InChI is InChI=1S/C14H25N3/c1-12(2)13(3)6-7-14(15-4)17-10-8-16(5)9-11-17/h6-7,12H,3,8-11H2,1-2,4-5H3/b7-6-,15-14-.
What are the key properties of (Z)-N,5-dimethyl-4-methylidene-1-(4-methylpiperazin-1-yl)hex-2-en-1-imine?
(Z)-N,5-dimethyl-4-methylidene-1-(4-methylpiperazin-1-yl)hex-2-en-1-imine has a molecular weight of 235.38 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,5-dimethyl-4-methylidene-1-(4-methylpiperazin-1-yl)hex-2-en-1-imine is sourced from PubChem (CID 155198666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).