N-[(1Z,3Z)-1-(4-methylpiperazin-1-yl)hexa-1,3-dienyl]methanimine

C12H21N3 — CID 129059916

IUPACN-[(1Z,3Z)-1-(4-methylpiperazin-1-yl)hexa-1,3-dienyl]methanimine
SMILESC=N/C(=C\C=C/CC)N1CCN(C)CC1
InChIInChI=1S/C12H21N3/c1-4-5-6-7-12(13-2)15-10-8-14(3)9-11-15/h5-7H,2,4,8-11H2,1,3H3/b6-5-,12-7+
InChIKeyRCDWFODVPIUVIP-UNKATYBDSA-N
MW207.32 g/mol
LogP1.74
Rot. Bonds4

About N-[(1Z,3Z)-1-(4-methylpiperazin-1-yl)hexa-1,3-dienyl]methanimine

N-[(1Z,3Z)-1-(4-methylpiperazin-1-yl)hexa-1,3-dienyl]methanimine (PubChem CID 129059916) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(1Z,3Z)-1-(4-methylpiperazin-1-yl)hexa-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3Z)-1-(4-methylpiperazin-1-yl)hexa-1,3-dienyl]methanimine
PubChem CID129059916
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-[(1Z,3Z)-1-(4-methylpiperazin-1-yl)hexa-1,3-dienyl]methanimine
SMILESC=N/C(=C\C=C/CC)N1CCN(C)CC1
InChIInChI=1S/C12H21N3/c1-4-5-6-7-12(13-2)15-10-8-14(3)9-11-15/h5-7H,2,4,8-11H2,1,3H3/b6-5-,12-7+
InChIKeyRCDWFODVPIUVIP-UNKATYBDSA-N
XLogP1.74
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N-[(1Z,3Z)-1-(4-methylpiperazin-1-yl)hexa-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z,3Z)-1-(4-methylpiperazin-1-yl)hexa-1,3-dienyl]methanimine (CID 129059916) is N-[(1Z,3Z)-1-(4-methylpiperazin-1-yl)hexa-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z,3Z)-1-(4-methylpiperazin-1-yl)hexa-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z,3Z)-1-(4-methylpiperazin-1-yl)hexa-1,3-dienyl]methanimine is C=N/C(=C\C=C/CC)N1CCN(C)CC1.
What is the InChIKey of N-[(1Z,3Z)-1-(4-methylpiperazin-1-yl)hexa-1,3-dienyl]methanimine?
The InChIKey is RCDWFODVPIUVIP-UNKATYBDSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-5-6-7-12(13-2)15-10-8-14(3)9-11-15/h5-7H,2,4,8-11H2,1,3H3/b6-5-,12-7+.
What are the key properties of N-[(1Z,3Z)-1-(4-methylpiperazin-1-yl)hexa-1,3-dienyl]methanimine?
N-[(1Z,3Z)-1-(4-methylpiperazin-1-yl)hexa-1,3-dienyl]methanimine has a molecular weight of 207.32 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3Z)-1-(4-methylpiperazin-1-yl)hexa-1,3-dienyl]methanimine is sourced from PubChem (CID 129059916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).