1-cyclohexa-1,5-dien-1-yl-N-methylmethanimine;1-cyclohexyl-N-methylmethanimine;1,1-dicyclohexyl-N-methylmethanimine

C30H51N3 — CID 143729870

IUPAC1-cyclohexa-1,5-dien-1-yl-N-methylmethanimine;1-cyclohexyl-N-methylmethanimine;1,1-dicyclohexyl-N-methylmethanimine
SMILESC/N=C/C1=CCCC=C1.C/N=C/C1CCCCC1.CN=C(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C14H25N.C8H15N.C8H11N/c1-15-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;2*1-9-7-8-5-3-2-4-6-8/h12-13H,2-11H2,1H3;7-8H,2-6H2,1H3;3,5-7H,2,4H2,1H3/b;2*9-7+
InChIKeyNESYKFIRPJPOSA-NPGDDEFMSA-N
MW453.76 g/mol
LogP8.45
Rot. Bonds4

About 1-cyclohexa-1,5-dien-1-yl-N-methylmethanimine;1-cyclohexyl-N-methylmethanimine;1,1-dicyclohexyl-N-methylmethanimine

1-cyclohexa-1,5-dien-1-yl-N-methylmethanimine;1-cyclohexyl-N-methylmethanimine;1,1-dicyclohexyl-N-methylmethanimine (PubChem CID 143729870) has the molecular formula C30H51N3 and a molecular weight of 453.76 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-N-methylmethanimine;1-cyclohexyl-N-methylmethanimine;1,1-dicyclohexyl-N-methylmethanimine.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-N-methylmethanimine;1-cyclohexyl-N-methylmethanimine;1,1-dicyclohexyl-N-methylmethanimine
PubChem CID143729870
Molecular FormulaC30H51N3
Molecular Weight453.76 g/mol
Exact Mass453.41
IUPAC Name1-cyclohexa-1,5-dien-1-yl-N-methylmethanimine;1-cyclohexyl-N-methylmethanimine;1,1-dicyclohexyl-N-methylmethanimine
SMILESC/N=C/C1=CCCC=C1.C/N=C/C1CCCCC1.CN=C(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C14H25N.C8H15N.C8H11N/c1-15-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;2*1-9-7-8-5-3-2-4-6-8/h12-13H,2-11H2,1H3;7-8H,2-6H2,1H3;3,5-7H,2,4H2,1H3/b;2*9-7+
InChIKeyNESYKFIRPJPOSA-NPGDDEFMSA-N
XLogP8.45
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.76
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-N-methylmethanimine;1-cyclohexyl-N-methylmethanimine;1,1-dicyclohexyl-N-methylmethanimine?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-N-methylmethanimine;1-cyclohexyl-N-methylmethanimine;1,1-dicyclohexyl-N-methylmethanimine (CID 143729870) is 1-cyclohexa-1,5-dien-1-yl-N-methylmethanimine;1-cyclohexyl-N-methylmethanimine;1,1-dicyclohexyl-N-methylmethanimine.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-N-methylmethanimine;1-cyclohexyl-N-methylmethanimine;1,1-dicyclohexyl-N-methylmethanimine?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-N-methylmethanimine;1-cyclohexyl-N-methylmethanimine;1,1-dicyclohexyl-N-methylmethanimine is C/N=C/C1=CCCC=C1.C/N=C/C1CCCCC1.CN=C(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-N-methylmethanimine;1-cyclohexyl-N-methylmethanimine;1,1-dicyclohexyl-N-methylmethanimine?
The InChIKey is NESYKFIRPJPOSA-NPGDDEFMSA-N. The full InChI is InChI=1S/C14H25N.C8H15N.C8H11N/c1-15-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;2*1-9-7-8-5-3-2-4-6-8/h12-13H,2-11H2,1H3;7-8H,2-6H2,1H3;3,5-7H,2,4H2,1H3/b;2*9-7+.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-N-methylmethanimine;1-cyclohexyl-N-methylmethanimine;1,1-dicyclohexyl-N-methylmethanimine?
1-cyclohexa-1,5-dien-1-yl-N-methylmethanimine;1-cyclohexyl-N-methylmethanimine;1,1-dicyclohexyl-N-methylmethanimine has a molecular weight of 453.76 g/mol, XLogP of 8.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-N-methylmethanimine;1-cyclohexyl-N-methylmethanimine;1,1-dicyclohexyl-N-methylmethanimine is sourced from PubChem (CID 143729870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).