(5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-imine;hydroiodide

C11H21IN2 — CID 140972577

IUPAC(5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-imine;hydroiodide
SMILESI.[H]/N=C/CCC/C=C1\CCCCN1C
InChIInChI=1S/C11H20N2.HI/c1-13-10-6-4-8-11(13)7-3-2-5-9-12;/h7,9,12H,2-6,8,10H2,1H3;1H/b11-7+,12-9+;
InChIKeyYXOWMNYYKIOXHL-TZSSSIPKSA-N
MW308.21 g/mol
LogP3.42
Rot. Bonds4

About (5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-imine;hydroiodide

(5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-imine;hydroiodide (PubChem CID 140972577) has the molecular formula C11H21IN2 and a molecular weight of 308.21 g/mol. Its IUPAC name is (5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-imine;hydroiodide.

Molecular Properties

Compound Name(5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-imine;hydroiodide
PubChem CID140972577
Molecular FormulaC11H21IN2
Molecular Weight308.21 g/mol
Exact Mass308.07
IUPAC Name(5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-imine;hydroiodide
SMILESI.[H]/N=C/CCC/C=C1\CCCCN1C
InChIInChI=1S/C11H20N2.HI/c1-13-10-6-4-8-11(13)7-3-2-5-9-12;/h7,9,12H,2-6,8,10H2,1H3;1H/b11-7+,12-9+;
InChIKeyYXOWMNYYKIOXHL-TZSSSIPKSA-N
XLogP3.42
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 53.42
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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Frequently Asked Questions

What is the IUPAC name of (5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-imine;hydroiodide?
The IUPAC name of (5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-imine;hydroiodide (CID 140972577) is (5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-imine;hydroiodide.
What is the SMILES notation for (5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-imine;hydroiodide?
The canonical SMILES for (5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-imine;hydroiodide is I.[H]/N=C/CCC/C=C1\CCCCN1C.
What is the InChIKey of (5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-imine;hydroiodide?
The InChIKey is YXOWMNYYKIOXHL-TZSSSIPKSA-N. The full InChI is InChI=1S/C11H20N2.HI/c1-13-10-6-4-8-11(13)7-3-2-5-9-12;/h7,9,12H,2-6,8,10H2,1H3;1H/b11-7+,12-9+;.
What are the key properties of (5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-imine;hydroiodide?
(5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-imine;hydroiodide has a molecular weight of 308.21 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-imine;hydroiodide is sourced from PubChem (CID 140972577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).