(Z)-N-methoxy-9-(4-methylpiperazin-1-yl)non-1-en-3-imine

C15H29N3O — CID 156720019

IUPAC(Z)-N-methoxy-9-(4-methylpiperazin-1-yl)non-1-en-3-imine
SMILESC=C/C(CCCCCCN1CCN(C)CC1)=N\OC
InChIInChI=1S/C15H29N3O/c1-4-15(16-19-3)9-7-5-6-8-10-18-13-11-17(2)12-14-18/h4H,1,5-14H2,2-3H3/b16-15+
InChIKeyUHMGDUMJMGLGMB-FOCLMDBBSA-N
MW267.42 g/mol
LogP2.37
Rot. Bonds9

About (Z)-N-methoxy-9-(4-methylpiperazin-1-yl)non-1-en-3-imine

(Z)-N-methoxy-9-(4-methylpiperazin-1-yl)non-1-en-3-imine (PubChem CID 156720019) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is (Z)-N-methoxy-9-(4-methylpiperazin-1-yl)non-1-en-3-imine.

Molecular Properties

Compound Name(Z)-N-methoxy-9-(4-methylpiperazin-1-yl)non-1-en-3-imine
PubChem CID156720019
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name(Z)-N-methoxy-9-(4-methylpiperazin-1-yl)non-1-en-3-imine
SMILESC=C/C(CCCCCCN1CCN(C)CC1)=N\OC
InChIInChI=1S/C15H29N3O/c1-4-15(16-19-3)9-7-5-6-8-10-18-13-11-17(2)12-14-18/h4H,1,5-14H2,2-3H3/b16-15+
InChIKeyUHMGDUMJMGLGMB-FOCLMDBBSA-N
XLogP2.37
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-methoxy-1-[3-(4-methylpiperazin-1-yl)propoxy]but-3-en-2-imine
CID 155031242
(4E)-8-(4-methylpiperazin-1-yl)-4-prop-2-enylideneoct-1-en-3-one
CID 88915065
ethane;methyl 4-(4-methylpiperazin-1-yl)butanoate
CID 171562662
7-(4-methylpiperazin-1-yl)heptanoyl chloride;hydrochloride
CID 87608449
10-(4-methylpiperazin-1-yl)decan-1-ol;12-(4-methylpiperazin-1-yl)dodecan-1-ol
CID 22218533
1-methyl-4-(4-piperidin-1-ylbutyl)piperazine
CID 54547768
N-methylidene-4-(4-methylpiperazin-1-yl)butanamide
CID 138481646
11-(4,7-dimethyl-1,4,7-triazonan-1-yl)undecyl-trimethoxysilane
CID 102100554
1-(5-ethoxypentyl)-4-methylpiperazine
CID 155702550
6-(4-methyl-1,4-diazepan-1-yl)hexan-1-ol
CID 107704779
1-(4-methylpiperazin-1-yl)but-3-en-2-one
CID 162736650
7-(4-methylpiperazin-1-yl)heptane-1-thiol
CID 144712055

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methoxy-9-(4-methylpiperazin-1-yl)non-1-en-3-imine?
The IUPAC name of (Z)-N-methoxy-9-(4-methylpiperazin-1-yl)non-1-en-3-imine (CID 156720019) is (Z)-N-methoxy-9-(4-methylpiperazin-1-yl)non-1-en-3-imine.
What is the SMILES notation for (Z)-N-methoxy-9-(4-methylpiperazin-1-yl)non-1-en-3-imine?
The canonical SMILES for (Z)-N-methoxy-9-(4-methylpiperazin-1-yl)non-1-en-3-imine is C=C/C(CCCCCCN1CCN(C)CC1)=N\OC.
What is the InChIKey of (Z)-N-methoxy-9-(4-methylpiperazin-1-yl)non-1-en-3-imine?
The InChIKey is UHMGDUMJMGLGMB-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H29N3O/c1-4-15(16-19-3)9-7-5-6-8-10-18-13-11-17(2)12-14-18/h4H,1,5-14H2,2-3H3/b16-15+.
What are the key properties of (Z)-N-methoxy-9-(4-methylpiperazin-1-yl)non-1-en-3-imine?
(Z)-N-methoxy-9-(4-methylpiperazin-1-yl)non-1-en-3-imine has a molecular weight of 267.42 g/mol, XLogP of 2.37, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methoxy-9-(4-methylpiperazin-1-yl)non-1-en-3-imine is sourced from PubChem (CID 156720019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).