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

C12H23IN2 — CID 140972589

IUPAC(6E)-6-(1-methylpiperidin-2-ylidene)hexan-1-imine;hydroiodide
SMILESI.[H]/N=C/CCCC/C=C1\CCCCN1C
InChIInChI=1S/C12H22N2.HI/c1-14-11-7-5-9-12(14)8-4-2-3-6-10-13;/h8,10,13H,2-7,9,11H2,1H3;1H/b12-8+,13-10+;
InChIKeyAIKNGXNMDUMJKF-KALBUYLPSA-N
MW322.23 g/mol
LogP3.81
Rot. Bonds5

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

(6E)-6-(1-methylpiperidin-2-ylidene)hexan-1-imine;hydroiodide (PubChem CID 140972589) has the molecular formula C12H23IN2 and a molecular weight of 322.23 g/mol. Its IUPAC name is (6E)-6-(1-methylpiperidin-2-ylidene)hexan-1-imine;hydroiodide.

Molecular Properties

Compound Name(6E)-6-(1-methylpiperidin-2-ylidene)hexan-1-imine;hydroiodide
PubChem CID140972589
Molecular FormulaC12H23IN2
Molecular Weight322.23 g/mol
Exact Mass322.09
IUPAC Name(6E)-6-(1-methylpiperidin-2-ylidene)hexan-1-imine;hydroiodide
SMILESI.[H]/N=C/CCCC/C=C1\CCCCN1C
InChIInChI=1S/C12H22N2.HI/c1-14-11-7-5-9-12(14)8-4-2-3-6-10-13;/h8,10,13H,2-7,9,11H2,1H3;1H/b12-8+,13-10+;
InChIKeyAIKNGXNMDUMJKF-KALBUYLPSA-N
XLogP3.81
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.23
LogP ≤ 53.81
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-(4-Methylpiperazin-1-yl)cyclohex-2-en-1-imine
CID 123946826
(5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-imine;hydroiodide
CID 140972577
(6Z)-6-piperidin-2-ylidenehexan-1-imine;hydroiodide
CID 140972582
(E)-N-methyl-3-piperidin-1-ylpent-2-en-1-imine
CID 142061223
1-[(E)-5-amino-1-iminohex-4-en-2-yl]-N,N-dipropylpiperidin-4-amine
CID 153405619
(5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-imine
CID 140972578
(6Z)-6-piperidin-2-ylidenehexan-1-imine
CID 140972583
(6E)-6-(1-methylpiperidin-2-ylidene)hexan-1-imine
CID 140972590
(2E)-5-methyl-2-piperidin-1-ylhexa-2,5-diene-1,4-diimine
CID 171810953
(E)-2-piperidin-1-ylhex-2-ene-1,4-diimine
CID 171811235

Frequently Asked Questions

What is the IUPAC name of (6E)-6-(1-methylpiperidin-2-ylidene)hexan-1-imine;hydroiodide?
The IUPAC name of (6E)-6-(1-methylpiperidin-2-ylidene)hexan-1-imine;hydroiodide (CID 140972589) is (6E)-6-(1-methylpiperidin-2-ylidene)hexan-1-imine;hydroiodide.
What is the SMILES notation for (6E)-6-(1-methylpiperidin-2-ylidene)hexan-1-imine;hydroiodide?
The canonical SMILES for (6E)-6-(1-methylpiperidin-2-ylidene)hexan-1-imine;hydroiodide is I.[H]/N=C/CCCC/C=C1\CCCCN1C.
What is the InChIKey of (6E)-6-(1-methylpiperidin-2-ylidene)hexan-1-imine;hydroiodide?
The InChIKey is AIKNGXNMDUMJKF-KALBUYLPSA-N. The full InChI is InChI=1S/C12H22N2.HI/c1-14-11-7-5-9-12(14)8-4-2-3-6-10-13;/h8,10,13H,2-7,9,11H2,1H3;1H/b12-8+,13-10+;.
What are the key properties of (6E)-6-(1-methylpiperidin-2-ylidene)hexan-1-imine;hydroiodide?
(6E)-6-(1-methylpiperidin-2-ylidene)hexan-1-imine;hydroiodide has a molecular weight of 322.23 g/mol, XLogP of 3.81, 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;hydroiodide is sourced from PubChem (CID 140972589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).