(Z)-N-ethyl-2-piperidin-2-ylhex-4-en-3-imine;molecular hydrogen;propane

C16H34N2 — CID 144787952

IUPAC(Z)-N-ethyl-2-piperidin-2-ylhex-4-en-3-imine;molecular hydrogen;propane
SMILESC/C=C\C(=N/CC)C(C)C1CCCCN1.CCC.[H][H]
InChIInChI=1S/C13H24N2.C3H8.H2/c1-4-8-12(14-5-2)11(3)13-9-6-7-10-15-13;1-3-2;/h4,8,11,13,15H,5-7,9-10H2,1-3H3;3H2,1-2H3;1H/b8-4-,14-12+;;
InChIKeyVAHVODNOYBZTFI-JIQGOWIASA-N
MW254.46 g/mol
LogP4.46
Rot. Bonds4

About (Z)-N-ethyl-2-piperidin-2-ylhex-4-en-3-imine;molecular hydrogen;propane

(Z)-N-ethyl-2-piperidin-2-ylhex-4-en-3-imine;molecular hydrogen;propane (PubChem CID 144787952) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is (Z)-N-ethyl-2-piperidin-2-ylhex-4-en-3-imine;molecular hydrogen;propane.

Molecular Properties

Compound Name(Z)-N-ethyl-2-piperidin-2-ylhex-4-en-3-imine;molecular hydrogen;propane
PubChem CID144787952
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name(Z)-N-ethyl-2-piperidin-2-ylhex-4-en-3-imine;molecular hydrogen;propane
SMILESC/C=C\C(=N/CC)C(C)C1CCCCN1.CCC.[H][H]
InChIInChI=1S/C13H24N2.C3H8.H2/c1-4-8-12(14-5-2)11(3)13-9-6-7-10-15-13;1-3-2;/h4,8,11,13,15H,5-7,9-10H2,1-3H3;3H2,1-2H3;1H/b8-4-,14-12+;;
InChIKeyVAHVODNOYBZTFI-JIQGOWIASA-N
XLogP4.46
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Ethylimino-5-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]pentan-1-amine
CID 123714233
1,1,1-Trifluoro-4-methyl-5-piperidin-2-ylhex-3-en-2-imine
CID 123932115
2-Ethylimino-6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]hexan-1-amine
CID 167217054
4-(2-piperidin-4-ylethyl)-7-(trifluoromethyl)-3,4-dihydro-2H-azepine
CID 169691681
2-Cyclopentyl-6-piperidin-3-yl-2,3-dihydropyridine
CID 66612629
2,3,4,4a,8,9,9a,9b-octahydro-1H-pyrido[4,3-b]indole
CID 68572676
5-Cycloundec-5-en-1-yl-1,4-diazacycloundec-11-ene
CID 70378160
(6Z,9Z,28Z,31Z)-N-(4-piperidin-4-ylbutyl)heptatriaconta-6,9,28,31-tetraen-19-amine
CID 71554450
N-(4-piperidin-4-ylbutyl)heptatriaconta-6,9,28,31-tetraen-19-amine
CID 78109924
6-Methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine
CID 91582344
2-[(E)-non-3-enyl]-5-[(E)-pent-1-enyl]piperidine
CID 118601836
[1-[4-(Ethylamino)cyclohex-3-en-1-yl]-4-methylpentan-3-ylidene]-methyl-(4-methylpent-1-en-2-yl)azanium
CID 123249569

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyl-2-piperidin-2-ylhex-4-en-3-imine;molecular hydrogen;propane?
The IUPAC name of (Z)-N-ethyl-2-piperidin-2-ylhex-4-en-3-imine;molecular hydrogen;propane (CID 144787952) is (Z)-N-ethyl-2-piperidin-2-ylhex-4-en-3-imine;molecular hydrogen;propane.
What is the SMILES notation for (Z)-N-ethyl-2-piperidin-2-ylhex-4-en-3-imine;molecular hydrogen;propane?
The canonical SMILES for (Z)-N-ethyl-2-piperidin-2-ylhex-4-en-3-imine;molecular hydrogen;propane is C/C=C\C(=N/CC)C(C)C1CCCCN1.CCC.[H][H].
What is the InChIKey of (Z)-N-ethyl-2-piperidin-2-ylhex-4-en-3-imine;molecular hydrogen;propane?
The InChIKey is VAHVODNOYBZTFI-JIQGOWIASA-N. The full InChI is InChI=1S/C13H24N2.C3H8.H2/c1-4-8-12(14-5-2)11(3)13-9-6-7-10-15-13;1-3-2;/h4,8,11,13,15H,5-7,9-10H2,1-3H3;3H2,1-2H3;1H/b8-4-,14-12+;;.
What are the key properties of (Z)-N-ethyl-2-piperidin-2-ylhex-4-en-3-imine;molecular hydrogen;propane?
(Z)-N-ethyl-2-piperidin-2-ylhex-4-en-3-imine;molecular hydrogen;propane has a molecular weight of 254.46 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-2-piperidin-2-ylhex-4-en-3-imine;molecular hydrogen;propane is sourced from PubChem (CID 144787952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).