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

C11H20N2 — CID 140972578

IUPAC(5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-imine
SMILES[H]/N=C/CCC/C=C1\CCCCN1C
InChIInChI=1S/C11H20N2/c1-13-10-6-4-8-11(13)7-3-2-5-9-12/h7,9,12H,2-6,8,10H2,1H3/b11-7+,12-9+
InChIKeyKVAJTZABKIFDQM-HNWKWBPYSA-N
MW180.29 g/mol
LogP2.81
Rot. Bonds4

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

(5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-imine (PubChem CID 140972578) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-imine.

Molecular Properties

Compound Name(5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-imine
PubChem CID140972578
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-imine
SMILES[H]/N=C/CCC/C=C1\CCCCN1C
InChIInChI=1S/C11H20N2/c1-13-10-6-4-8-11(13)7-3-2-5-9-12/h7,9,12H,2-6,8,10H2,1H3/b11-7+,12-9+
InChIKeyKVAJTZABKIFDQM-HNWKWBPYSA-N
XLogP2.81
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.81
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'}

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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
(Z)-1-(1,4-dimethylpiperidin-4-yl)-3-iminoprop-1-en-1-amine;ethane
CID 145647957
(Z)-1-(1,4-dimethylpiperidin-4-yl)-3-iminoprop-1-en-1-amine
CID 145647958
1-[(E)-5-amino-1-iminohex-4-en-2-yl]-N,N-dipropylpiperidin-4-amine
CID 153405619
(E)-N-[(2E)-2-ethylidenepiperidin-1-yl]ethanimine;methane
CID 166143534

Frequently Asked Questions

What is the IUPAC name of (5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-imine?
The IUPAC name of (5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-imine (CID 140972578) is (5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-imine.
What is the SMILES notation for (5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-imine?
The canonical SMILES for (5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-imine is [H]/N=C/CCC/C=C1\CCCCN1C.
What is the InChIKey of (5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-imine?
The InChIKey is KVAJTZABKIFDQM-HNWKWBPYSA-N. The full InChI is InChI=1S/C11H20N2/c1-13-10-6-4-8-11(13)7-3-2-5-9-12/h7,9,12H,2-6,8,10H2,1H3/b11-7+,12-9+.
What are the key properties of (5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-imine?
(5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-imine has a molecular weight of 180.29 g/mol, XLogP of 2.81, 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 is sourced from PubChem (CID 140972578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).