(2E)-N-ethenyl-1-methyl-6-methylidene-2-(4-methylpent-1-en-3-ylidene)piperidin-3-imine

C15H22N2 — CID 170246048

IUPAC(2E)-N-ethenyl-1-methyl-6-methylidene-2-(4-methylpent-1-en-3-ylidene)piperidin-3-imine
SMILESC=C/N=C1\CCC(=C)N(C)\C1=C(\C=C)C(C)C
InChIInChI=1S/C15H22N2/c1-7-13(11(3)4)15-14(16-8-2)10-9-12(5)17(15)6/h7-8,11H,1-2,5,9-10H2,3-4,6H3/b15-13-,16-14+
InChIKeyQNFRFLLPOHHUCQ-VCFJNTAESA-N
MW230.35 g/mol
LogP3.91
Rot. Bonds3

About (2E)-N-ethenyl-1-methyl-6-methylidene-2-(4-methylpent-1-en-3-ylidene)piperidin-3-imine

(2E)-N-ethenyl-1-methyl-6-methylidene-2-(4-methylpent-1-en-3-ylidene)piperidin-3-imine (PubChem CID 170246048) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (2E)-N-ethenyl-1-methyl-6-methylidene-2-(4-methylpent-1-en-3-ylidene)piperidin-3-imine.

Molecular Properties

Compound Name(2E)-N-ethenyl-1-methyl-6-methylidene-2-(4-methylpent-1-en-3-ylidene)piperidin-3-imine
PubChem CID170246048
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name(2E)-N-ethenyl-1-methyl-6-methylidene-2-(4-methylpent-1-en-3-ylidene)piperidin-3-imine
SMILESC=C/N=C1\CCC(=C)N(C)\C1=C(\C=C)C(C)C
InChIInChI=1S/C15H22N2/c1-7-13(11(3)4)15-14(16-8-2)10-9-12(5)17(15)6/h7-8,11H,1-2,5,9-10H2,3-4,6H3/b15-13-,16-14+
InChIKeyQNFRFLLPOHHUCQ-VCFJNTAESA-N
XLogP3.91
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-1-(4-but-3-enyl-2,3-difluorocyclohexa-2,4-dien-1-yl)prop-1-enyl]-3-methyl-2-methylidenepyrazine
CID 169623338
[(3Z)-4-[[3-methyl-1-(1-methylpiperidin-4-yl)but-2-enylidene]amino]penta-1,3-dien-3-yl] thiohypofluorite
CID 145500736
1,11-Diazatetracyclo[13.2.2.04,12.05,10]nonadeca-2,4,6,8,10,12,14-heptaene
CID 54020179
2-(1-Piperidin-1-ylethyl)azocine;dihydrochloride
CID 67711383
N-[(1Z)-buta-1,3-dienyl]-2-methyl-3-(1-methylpiperidin-4-ylidene)propan-1-imine
CID 89366339
2-(2,3-dimethyl-6H-indol-6-yl)ethyl-trimethylazanium
CID 90422117
2,10-Diazatetracyclo[11.2.2.02,12.04,9]heptadeca-1(15),3,5,7,9,11,13-heptaene
CID 90718109
N,N,7-trimethyl-8-methylimino-4,9-dihydroquinolizin-1-amine
CID 90851840
N,1-dimethyl-N-(2-methylpropyl)-3,4,8,9-tetrahydrocycloocta[c]pyridin-10-amine
CID 90909657
N,5,6-trimethyl-1-[(3-methylcyclohepta-1,4,6-trien-1-yl)methyl]-2,3-dihydropyridin-4-imine
CID 91314131
1-[(3E,4E)-3-(2-cyclohexa-1,5-dien-1-yl-2-ethenyliminoethylidene)hepta-4,6-dien-2-yl]-N,N-diethylpiperidin-4-amine
CID 117611664
(3Z)-N-ethenyl-N-methyl-5-(1-methylpiperidin-4-yl)hexa-1,3,5-trien-2-amine
CID 118612512

Frequently Asked Questions

What is the IUPAC name of (2E)-N-ethenyl-1-methyl-6-methylidene-2-(4-methylpent-1-en-3-ylidene)piperidin-3-imine?
The IUPAC name of (2E)-N-ethenyl-1-methyl-6-methylidene-2-(4-methylpent-1-en-3-ylidene)piperidin-3-imine (CID 170246048) is (2E)-N-ethenyl-1-methyl-6-methylidene-2-(4-methylpent-1-en-3-ylidene)piperidin-3-imine.
What is the SMILES notation for (2E)-N-ethenyl-1-methyl-6-methylidene-2-(4-methylpent-1-en-3-ylidene)piperidin-3-imine?
The canonical SMILES for (2E)-N-ethenyl-1-methyl-6-methylidene-2-(4-methylpent-1-en-3-ylidene)piperidin-3-imine is C=C/N=C1\CCC(=C)N(C)\C1=C(\C=C)C(C)C.
What is the InChIKey of (2E)-N-ethenyl-1-methyl-6-methylidene-2-(4-methylpent-1-en-3-ylidene)piperidin-3-imine?
The InChIKey is QNFRFLLPOHHUCQ-VCFJNTAESA-N. The full InChI is InChI=1S/C15H22N2/c1-7-13(11(3)4)15-14(16-8-2)10-9-12(5)17(15)6/h7-8,11H,1-2,5,9-10H2,3-4,6H3/b15-13-,16-14+.
What are the key properties of (2E)-N-ethenyl-1-methyl-6-methylidene-2-(4-methylpent-1-en-3-ylidene)piperidin-3-imine?
(2E)-N-ethenyl-1-methyl-6-methylidene-2-(4-methylpent-1-en-3-ylidene)piperidin-3-imine has a molecular weight of 230.35 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-ethenyl-1-methyl-6-methylidene-2-(4-methylpent-1-en-3-ylidene)piperidin-3-imine is sourced from PubChem (CID 170246048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).