ethane;(Z)-N-methyl-2-piperidin-2-ylhept-4-en-3-imine

C15H30N2 — CID 145104492

IUPACethane;(Z)-N-methyl-2-piperidin-2-ylhept-4-en-3-imine
SMILESCC.CC/C=C\C(=N/C)C(C)C1CCCCN1
InChIInChI=1S/C13H24N2.C2H6/c1-4-5-8-12(14-3)11(2)13-9-6-7-10-15-13;1-2/h5,8,11,13,15H,4,6-7,9-10H2,1-3H3;1-2H3/b8-5-,14-12+;
InChIKeyIEQSAKJKOIDEPZ-VKHHOHLBSA-N
MW238.42 g/mol
LogP3.83
Rot. Bonds4

About ethane;(Z)-N-methyl-2-piperidin-2-ylhept-4-en-3-imine

ethane;(Z)-N-methyl-2-piperidin-2-ylhept-4-en-3-imine (PubChem CID 145104492) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is ethane;(Z)-N-methyl-2-piperidin-2-ylhept-4-en-3-imine.

Molecular Properties

Compound Nameethane;(Z)-N-methyl-2-piperidin-2-ylhept-4-en-3-imine
PubChem CID145104492
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Nameethane;(Z)-N-methyl-2-piperidin-2-ylhept-4-en-3-imine
SMILESCC.CC/C=C\C(=N/C)C(C)C1CCCCN1
InChIInChI=1S/C13H24N2.C2H6/c1-4-5-8-12(14-3)11(2)13-9-6-7-10-15-13;1-2/h5,8,11,13,15H,4,6-7,9-10H2,1-3H3;1-2H3/b8-5-,14-12+;
InChIKeyIEQSAKJKOIDEPZ-VKHHOHLBSA-N
XLogP3.83
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.83
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
6-Piperidin-4-yl-2,5-dihydropyridine
CID 57184087
2-Cyclopentyl-6-piperidin-3-yl-2,3-dihydropyridine
CID 66612629
7,8a-dimethyl-2,3,4,4a-tetrahydro-1H-1,8-naphthyridine
CID 67562135
2,3,4,4a,8,9,9a,9b-octahydro-1H-pyrido[4,3-b]indole
CID 68572676
3-methyl-2-[(1Z)-penta-1,3,4-trienyl]-3a,4,5,6,7,7a-hexahydro-3H-pyrrolo[2,3-c]pyridine
CID 90746808
6,8-dimethyl-2,3,4,5a,6,9b-hexahydro-1H-pyrido[4,3-b]indole
CID 91352720
6-Methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine
CID 91582344
(E)-1-bromo-5-[6-(bromomethyl)piperidin-3-yl]hept-5-en-2-imine
CID 118066403

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-methyl-2-piperidin-2-ylhept-4-en-3-imine?
The IUPAC name of ethane;(Z)-N-methyl-2-piperidin-2-ylhept-4-en-3-imine (CID 145104492) is ethane;(Z)-N-methyl-2-piperidin-2-ylhept-4-en-3-imine.
What is the SMILES notation for ethane;(Z)-N-methyl-2-piperidin-2-ylhept-4-en-3-imine?
The canonical SMILES for ethane;(Z)-N-methyl-2-piperidin-2-ylhept-4-en-3-imine is CC.CC/C=C\C(=N/C)C(C)C1CCCCN1.
What is the InChIKey of ethane;(Z)-N-methyl-2-piperidin-2-ylhept-4-en-3-imine?
The InChIKey is IEQSAKJKOIDEPZ-VKHHOHLBSA-N. The full InChI is InChI=1S/C13H24N2.C2H6/c1-4-5-8-12(14-3)11(2)13-9-6-7-10-15-13;1-2/h5,8,11,13,15H,4,6-7,9-10H2,1-3H3;1-2H3/b8-5-,14-12+;.
What are the key properties of ethane;(Z)-N-methyl-2-piperidin-2-ylhept-4-en-3-imine?
ethane;(Z)-N-methyl-2-piperidin-2-ylhept-4-en-3-imine has a molecular weight of 238.42 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-methyl-2-piperidin-2-ylhept-4-en-3-imine is sourced from PubChem (CID 145104492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).