ethane;(Z)-2-(6-methylpiperidin-3-yl)but-2-en-1-imine

C12H24N2 — CID 145074380

IUPACethane;(Z)-2-(6-methylpiperidin-3-yl)but-2-en-1-imine
SMILESCC.[H]/N=C/C(=C\C)C1CCC(C)NC1
InChIInChI=1S/C10H18N2.C2H6/c1-3-9(6-11)10-5-4-8(2)12-7-10;1-2/h3,6,8,10-12H,4-5,7H2,1-2H3;1-2H3/b9-3+,11-6+;
InChIKeyFXKMJSFDHYLBLQ-JWSZLVFPSA-N
MW196.34 g/mol
LogP3.00
Rot. Bonds2

About ethane;(Z)-2-(6-methylpiperidin-3-yl)but-2-en-1-imine

ethane;(Z)-2-(6-methylpiperidin-3-yl)but-2-en-1-imine (PubChem CID 145074380) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is ethane;(Z)-2-(6-methylpiperidin-3-yl)but-2-en-1-imine.

Molecular Properties

Compound Nameethane;(Z)-2-(6-methylpiperidin-3-yl)but-2-en-1-imine
PubChem CID145074380
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Nameethane;(Z)-2-(6-methylpiperidin-3-yl)but-2-en-1-imine
SMILESCC.[H]/N=C/C(=C\C)C1CCC(C)NC1
InChIInChI=1S/C10H18N2.C2H6/c1-3-9(6-11)10-5-4-8(2)12-7-10;1-2/h3,6,8,10-12H,4-5,7H2,1-2H3;1-2H3/b9-3+,11-6+;
InChIKeyFXKMJSFDHYLBLQ-JWSZLVFPSA-N
XLogP3.00
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(2-fluoroethyl)cyclobutyl]-2-[2-[(2R)-2-methylpiperidin-4-yl]ethyl]-2,3-dihydropyridine
CID 163443495
(2S)-2-(2-methyl-2H-pyrrol-4-yl)piperidine
CID 89154206
4-methyl-N-[2-(6-methylpiperidin-3-yl)ethyl]cyclohex-3-en-1-amine
CID 89503250
4-(2,3-Dimethyl-2,3-dihydropyrrol-4-ylidene)piperidine
CID 90762439
5-Methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine
CID 91459524
(E)-4-piperidin-4-ylpent-3-en-2-imine
CID 123268672
(E)-4-piperidin-3-ylpent-3-en-2-imine
CID 123503371
2-Methyl-5-piperidin-4-yl-2,3-dihydropyridine
CID 123831605
(5Z)-7-piperidin-3-ylocta-5,7-dien-4-imine
CID 123845307
4-(3-Methylhexan-2-ylidene)piperidin-3-imine
CID 123972348
N,5-diethyl-3-methyl-9-methyliminonon-3-en-1-amine
CID 123998295
(Z)-N-methyl-3-(4-methylcyclohexen-1-yl)-2-piperidin-4-ylprop-2-en-1-imine
CID 126517181

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-2-(6-methylpiperidin-3-yl)but-2-en-1-imine?
The IUPAC name of ethane;(Z)-2-(6-methylpiperidin-3-yl)but-2-en-1-imine (CID 145074380) is ethane;(Z)-2-(6-methylpiperidin-3-yl)but-2-en-1-imine.
What is the SMILES notation for ethane;(Z)-2-(6-methylpiperidin-3-yl)but-2-en-1-imine?
The canonical SMILES for ethane;(Z)-2-(6-methylpiperidin-3-yl)but-2-en-1-imine is CC.[H]/N=C/C(=C\C)C1CCC(C)NC1.
What is the InChIKey of ethane;(Z)-2-(6-methylpiperidin-3-yl)but-2-en-1-imine?
The InChIKey is FXKMJSFDHYLBLQ-JWSZLVFPSA-N. The full InChI is InChI=1S/C10H18N2.C2H6/c1-3-9(6-11)10-5-4-8(2)12-7-10;1-2/h3,6,8,10-12H,4-5,7H2,1-2H3;1-2H3/b9-3+,11-6+;.
What are the key properties of ethane;(Z)-2-(6-methylpiperidin-3-yl)but-2-en-1-imine?
ethane;(Z)-2-(6-methylpiperidin-3-yl)but-2-en-1-imine has a molecular weight of 196.34 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-2-(6-methylpiperidin-3-yl)but-2-en-1-imine is sourced from PubChem (CID 145074380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).