1-cyclohepta-1,6-dien-1-yl-N-methylmethanimine;1-cyclohexyl-N-methylmethanimine

C17H28N2 — CID 143882565

IUPAC1-cyclohepta-1,6-dien-1-yl-N-methylmethanimine;1-cyclohexyl-N-methylmethanimine
SMILESC/N=C/C1=CCCCC=C1.C/N=C/C1CCCCC1
InChIInChI=1S/C9H13N.C8H15N/c1-10-8-9-6-4-2-3-5-7-9;1-9-7-8-5-3-2-4-6-8/h4,6-8H,2-3,5H2,1H3;7-8H,2-6H2,1H3/b10-8+;9-7+
InChIKeyZKGRUPLZNPLQAL-XKCCMCBWSA-N
MW260.43 g/mol
LogP4.62
Rot. Bonds2

About 1-cyclohepta-1,6-dien-1-yl-N-methylmethanimine;1-cyclohexyl-N-methylmethanimine

1-cyclohepta-1,6-dien-1-yl-N-methylmethanimine;1-cyclohexyl-N-methylmethanimine (PubChem CID 143882565) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-cyclohepta-1,6-dien-1-yl-N-methylmethanimine;1-cyclohexyl-N-methylmethanimine.

Molecular Properties

Compound Name1-cyclohepta-1,6-dien-1-yl-N-methylmethanimine;1-cyclohexyl-N-methylmethanimine
PubChem CID143882565
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-cyclohepta-1,6-dien-1-yl-N-methylmethanimine;1-cyclohexyl-N-methylmethanimine
SMILESC/N=C/C1=CCCCC=C1.C/N=C/C1CCCCC1
InChIInChI=1S/C9H13N.C8H15N/c1-10-8-9-6-4-2-3-5-7-9;1-9-7-8-5-3-2-4-6-8/h4,6-8H,2-3,5H2,1H3;7-8H,2-6H2,1H3/b10-8+;9-7+
InChIKeyZKGRUPLZNPLQAL-XKCCMCBWSA-N
XLogP4.62
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.62
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

(Z)-N-ethyl-2-(2-fluoropropan-2-yl)-3-(5-methylcyclohexa-2,4-dien-1-yl)but-2-en-1-imine
CID 156099727
N-ethyl-1-[5-(6-fluoro-2-methylcyclohex-2-en-1-yl)-2-methylcyclohepta-1,3-dien-1-yl]methanimine
CID 155724042
(3E,5E,7E,9E)-N,3,7-trimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trien-1-imine
CID 59859287
N,3,7-trimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trien-1-imine
CID 72580176
10-Methyl-17-azatetracyclo[12.5.0.02,7.08,13]nonadeca-1(19),2,4,7,13,15,17-heptaene
CID 85929365
1-[6-(3,6-dimethylideneoct-4-en-2-yl)cyclohexa-1,5-dien-1-yl]-N-methylethanimine
CID 90743390
4-ethyl-N-(6-ethyl-4,5-dimethyl-2H-azepin-2-yl)-6-methylcyclohex-2-en-1-imine
CID 91016536
2-cyclohepta-1,3-dien-1-yl-N-methylpropan-1-imine
CID 123157322
9-methyl-6,7-dihydro-5aH-3-benzazepine
CID 123380171
N,4-dimethyl-2-(3-methylbutan-2-yl)-3-propylhepta-2,4-dien-1-imine
CID 123920709
4-methyl-5-(4-methyloct-5-en-2-yl)-3H-azepine
CID 124010499
(2Z,5E,6Z)-3-ethyl-5-ethylidene-N,4-dimethylocta-2,6-dien-1-imine
CID 129171378

Frequently Asked Questions

What is the IUPAC name of 1-cyclohepta-1,6-dien-1-yl-N-methylmethanimine;1-cyclohexyl-N-methylmethanimine?
The IUPAC name of 1-cyclohepta-1,6-dien-1-yl-N-methylmethanimine;1-cyclohexyl-N-methylmethanimine (CID 143882565) is 1-cyclohepta-1,6-dien-1-yl-N-methylmethanimine;1-cyclohexyl-N-methylmethanimine.
What is the SMILES notation for 1-cyclohepta-1,6-dien-1-yl-N-methylmethanimine;1-cyclohexyl-N-methylmethanimine?
The canonical SMILES for 1-cyclohepta-1,6-dien-1-yl-N-methylmethanimine;1-cyclohexyl-N-methylmethanimine is C/N=C/C1=CCCCC=C1.C/N=C/C1CCCCC1.
What is the InChIKey of 1-cyclohepta-1,6-dien-1-yl-N-methylmethanimine;1-cyclohexyl-N-methylmethanimine?
The InChIKey is ZKGRUPLZNPLQAL-XKCCMCBWSA-N. The full InChI is InChI=1S/C9H13N.C8H15N/c1-10-8-9-6-4-2-3-5-7-9;1-9-7-8-5-3-2-4-6-8/h4,6-8H,2-3,5H2,1H3;7-8H,2-6H2,1H3/b10-8+;9-7+.
What are the key properties of 1-cyclohepta-1,6-dien-1-yl-N-methylmethanimine;1-cyclohexyl-N-methylmethanimine?
1-cyclohepta-1,6-dien-1-yl-N-methylmethanimine;1-cyclohexyl-N-methylmethanimine has a molecular weight of 260.43 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohepta-1,6-dien-1-yl-N-methylmethanimine;1-cyclohexyl-N-methylmethanimine is sourced from PubChem (CID 143882565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).