(6E)-6-(1-methylpiperidin-2-ylidene)hexan-1-imine

C12H22N2 — CID 140972590

IUPAC(6E)-6-(1-methylpiperidin-2-ylidene)hexan-1-imine
SMILES[H]/N=C/CCCC/C=C1\CCCCN1C
InChIInChI=1S/C12H22N2/c1-14-11-7-5-9-12(14)8-4-2-3-6-10-13/h8,10,13H,2-7,9,11H2,1H3/b12-8+,13-10+
InChIKeyOIZWQLVYUAGZDU-SDCOAONHSA-N
MW194.32 g/mol
LogP3.20
Rot. Bonds5

About (6E)-6-(1-methylpiperidin-2-ylidene)hexan-1-imine

(6E)-6-(1-methylpiperidin-2-ylidene)hexan-1-imine (PubChem CID 140972590) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (6E)-6-(1-methylpiperidin-2-ylidene)hexan-1-imine.

Molecular Properties

Compound Name(6E)-6-(1-methylpiperidin-2-ylidene)hexan-1-imine
PubChem CID140972590
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(6E)-6-(1-methylpiperidin-2-ylidene)hexan-1-imine
SMILES[H]/N=C/CCCC/C=C1\CCCCN1C
InChIInChI=1S/C12H22N2/c1-14-11-7-5-9-12(14)8-4-2-3-6-10-13/h8,10,13H,2-7,9,11H2,1H3/b12-8+,13-10+
InChIKeyOIZWQLVYUAGZDU-SDCOAONHSA-N
XLogP3.20
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Piperidin-1-ylhex-2-enimidoyl chloride
CID 123527230
3-(4-Methylpiperazin-1-yl)cyclohex-2-en-1-imine
CID 123946826
4-Piperidin-1-yl-2,5-dihydropyridine
CID 129208888
(5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-imine;hydroiodide
CID 140972577
(6Z)-6-piperidin-2-ylidenehexan-1-imine;hydroiodide
CID 140972582
(6E)-6-(1-methylpiperidin-2-ylidene)hexan-1-imine;hydroiodide
CID 140972589
(E)-N-methyl-3-piperidin-1-ylpent-2-en-1-imine
CID 142061223
(Z)-1-(1-ethylpiperidin-4-yl)-3-iminoprop-1-en-1-amine
CID 143506326
Ethane;6-(1-methylpiperidin-2-yl)-3,4-dihydropyridine
CID 144108443
1-[(E)-5-amino-1-iminohex-4-en-2-yl]-N,N-dipropylpiperidin-4-amine
CID 153405619
(Z)-9-piperidin-1-ylnon-2-en-3-amine
CID 156234092
(5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-imine
CID 140972578

Frequently Asked Questions

What is the IUPAC name of (6E)-6-(1-methylpiperidin-2-ylidene)hexan-1-imine?
The IUPAC name of (6E)-6-(1-methylpiperidin-2-ylidene)hexan-1-imine (CID 140972590) is (6E)-6-(1-methylpiperidin-2-ylidene)hexan-1-imine.
What is the SMILES notation for (6E)-6-(1-methylpiperidin-2-ylidene)hexan-1-imine?
The canonical SMILES for (6E)-6-(1-methylpiperidin-2-ylidene)hexan-1-imine is [H]/N=C/CCCC/C=C1\CCCCN1C.
What is the InChIKey of (6E)-6-(1-methylpiperidin-2-ylidene)hexan-1-imine?
The InChIKey is OIZWQLVYUAGZDU-SDCOAONHSA-N. The full InChI is InChI=1S/C12H22N2/c1-14-11-7-5-9-12(14)8-4-2-3-6-10-13/h8,10,13H,2-7,9,11H2,1H3/b12-8+,13-10+.
What are the key properties of (6E)-6-(1-methylpiperidin-2-ylidene)hexan-1-imine?
(6E)-6-(1-methylpiperidin-2-ylidene)hexan-1-imine has a molecular weight of 194.32 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-(1-methylpiperidin-2-ylidene)hexan-1-imine is sourced from PubChem (CID 140972590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).