(1-ethoxy-3-methylcyclohexyl)-(4-methylpiperazin-1-yl)methanimine

C15H29N3O — CID 116780179

IUPAC(1-ethoxy-3-methylcyclohexyl)-(4-methylpiperazin-1-yl)methanimine
SMILES[H]/N=C(\N1CCN(C)CC1)C1(OCC)CCCC(C)C1
InChIInChI=1S/C15H29N3O/c1-4-19-15(7-5-6-13(2)12-15)14(16)18-10-8-17(3)9-11-18/h13,16H,4-12H2,1-3H3/b16-14-
InChIKeyWORCDSXWJHKBQU-PEZBUJJGSA-N
MW267.42 g/mol
LogP2.20
Rot. Bonds3

About (1-ethoxy-3-methylcyclohexyl)-(4-methylpiperazin-1-yl)methanimine

(1-ethoxy-3-methylcyclohexyl)-(4-methylpiperazin-1-yl)methanimine (PubChem CID 116780179) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is (1-ethoxy-3-methylcyclohexyl)-(4-methylpiperazin-1-yl)methanimine.

Molecular Properties

Compound Name(1-ethoxy-3-methylcyclohexyl)-(4-methylpiperazin-1-yl)methanimine
PubChem CID116780179
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name(1-ethoxy-3-methylcyclohexyl)-(4-methylpiperazin-1-yl)methanimine
SMILES[H]/N=C(\N1CCN(C)CC1)C1(OCC)CCCC(C)C1
InChIInChI=1S/C15H29N3O/c1-4-19-15(7-5-6-13(2)12-15)14(16)18-10-8-17(3)9-11-18/h13,16H,4-12H2,1-3H3/b16-14-
InChIKeyWORCDSXWJHKBQU-PEZBUJJGSA-N
XLogP2.20
TPSA39.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-ethoxycycloheptyl)-pyrrolidin-1-ylmethanimine
CID 116780141
cyclobutyl-(1-ethoxy-3-methylcyclohexyl)methanone
CID 116749804
1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-one
CID 116749813
2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 116749855
1-(1-ethoxy-3-methylcyclohexyl)prop-2-en-1-one
CID 116749931
(1-methoxy-4-methylcyclohexyl)-piperidin-1-ylmethanimine
CID 116780159
1-(1-ethoxy-3-methylcyclohexyl)nonan-1-one
CID 116749779
(1-ethoxy-3-methylcyclohexyl)-thiophen-2-ylmethanone
CID 116749917
1-ethoxy-4-methylcyclohexane-1-carboximidamide
CID 116740221
1-(1-ethoxy-3-methylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanone
CID 107047533
2-(2,6-dichlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 116749946
1-(1-ethoxy-3-methylcyclohexyl)-4-methoxy-2-methylbutan-1-one
CID 116749940

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-3-methylcyclohexyl)-(4-methylpiperazin-1-yl)methanimine?
The IUPAC name of (1-ethoxy-3-methylcyclohexyl)-(4-methylpiperazin-1-yl)methanimine (CID 116780179) is (1-ethoxy-3-methylcyclohexyl)-(4-methylpiperazin-1-yl)methanimine.
What is the SMILES notation for (1-ethoxy-3-methylcyclohexyl)-(4-methylpiperazin-1-yl)methanimine?
The canonical SMILES for (1-ethoxy-3-methylcyclohexyl)-(4-methylpiperazin-1-yl)methanimine is [H]/N=C(\N1CCN(C)CC1)C1(OCC)CCCC(C)C1.
What is the InChIKey of (1-ethoxy-3-methylcyclohexyl)-(4-methylpiperazin-1-yl)methanimine?
The InChIKey is WORCDSXWJHKBQU-PEZBUJJGSA-N. The full InChI is InChI=1S/C15H29N3O/c1-4-19-15(7-5-6-13(2)12-15)14(16)18-10-8-17(3)9-11-18/h13,16H,4-12H2,1-3H3/b16-14-.
What are the key properties of (1-ethoxy-3-methylcyclohexyl)-(4-methylpiperazin-1-yl)methanimine?
(1-ethoxy-3-methylcyclohexyl)-(4-methylpiperazin-1-yl)methanimine has a molecular weight of 267.42 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-3-methylcyclohexyl)-(4-methylpiperazin-1-yl)methanimine is sourced from PubChem (CID 116780179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).