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

C11H23IN2 — CID 141023880

IUPAC(5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-amine;hydroiodide
SMILESCN1CCCC/C1=C\CCCCN.I
InChIInChI=1S/C11H22N2.HI/c1-13-10-6-4-8-11(13)7-3-2-5-9-12;/h7H,2-6,8-10,12H2,1H3;1H/b11-7+;
InChIKeyIMTAOBNKNKIDBF-RVDQCCQOSA-N
MW310.22 g/mol
LogP2.73
Rot. Bonds4

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

(5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-amine;hydroiodide (PubChem CID 141023880) has the molecular formula C11H23IN2 and a molecular weight of 310.22 g/mol. Its IUPAC name is (5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-amine;hydroiodide.

Molecular Properties

Compound Name(5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-amine;hydroiodide
PubChem CID141023880
Molecular FormulaC11H23IN2
Molecular Weight310.22 g/mol
Exact Mass310.09
IUPAC Name(5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-amine;hydroiodide
SMILESCN1CCCC/C1=C\CCCCN.I
InChIInChI=1S/C11H22N2.HI/c1-13-10-6-4-8-11(13)7-3-2-5-9-12;/h7H,2-6,8-10,12H2,1H3;1H/b11-7+;
InChIKeyIMTAOBNKNKIDBF-RVDQCCQOSA-N
XLogP2.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-amine;hydroiodide?
The IUPAC name of (5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-amine;hydroiodide (CID 141023880) is (5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-amine;hydroiodide.
What is the SMILES notation for (5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-amine;hydroiodide?
The canonical SMILES for (5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-amine;hydroiodide is CN1CCCC/C1=C\CCCCN.I.
What is the InChIKey of (5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-amine;hydroiodide?
The InChIKey is IMTAOBNKNKIDBF-RVDQCCQOSA-N. The full InChI is InChI=1S/C11H22N2.HI/c1-13-10-6-4-8-11(13)7-3-2-5-9-12;/h7H,2-6,8-10,12H2,1H3;1H/b11-7+;.
What are the key properties of (5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-amine;hydroiodide?
(5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-amine;hydroiodide has a molecular weight of 310.22 g/mol, XLogP of 2.73, 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-amine;hydroiodide is sourced from PubChem (CID 141023880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).