N-[(6R)-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-1-phenylmethanimine

C19H25N — CID 58512819

IUPACN-[(6R)-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-1-phenylmethanimine
SMILESCC(C)C1=C(/N=C/c2ccccc2)[C@@H](C(C)C)CC=C1
InChIInChI=1S/C19H25N/c1-14(2)17-11-8-12-18(15(3)4)19(17)20-13-16-9-6-5-7-10-16/h5-11,13-15,18H,12H2,1-4H3/b20-13+/t18-/m1/s1
InChIKeyDNABWTCJRSGXNA-JZQBQCRLSA-N
MW267.42 g/mol
LogP5.25
Rot. Bonds4

About N-[(6R)-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-1-phenylmethanimine

N-[(6R)-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-1-phenylmethanimine (PubChem CID 58512819) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[(6R)-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-1-phenylmethanimine.

Molecular Properties

Compound NameN-[(6R)-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-1-phenylmethanimine
PubChem CID58512819
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC NameN-[(6R)-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-1-phenylmethanimine
SMILESCC(C)C1=C(/N=C/c2ccccc2)[C@@H](C(C)C)CC=C1
InChIInChI=1S/C19H25N/c1-14(2)17-11-8-12-18(15(3)4)19(17)20-13-16-9-6-5-7-10-16/h5-11,13-15,18H,12H2,1-4H3/b20-13+/t18-/m1/s1
InChIKeyDNABWTCJRSGXNA-JZQBQCRLSA-N
XLogP5.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.42
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R,3R)-3-(benzylideneamino)butan-2-yl]-1-phenylmethanimine
CID 929328
1-(benzylideneamino)ethanol
CID 66697160
1,3-bis[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]imidazolidine
CID 123897713
N-[bis(trimethylsilyl)methyl]-1-phenylmethanimine
CID 71344888
N,1-diphenylmethanimine
CID 10858
CID 11342105
CID 11342105
N-(2-cyclopropylphenyl)-1-phenylmethanimine
CID 5185727
N-(2-cyclopropylphenyl)-1-(4-propan-2-ylphenyl)methanimine
CID 91735663
tris(acetonitrile);tris(benzylidene(dichloro)ruthenium);1-[(6S)-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[(6R)-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]imidazolidin-2-ide;1-[(6R)-6-methyl-2-propan-2-ylcyclohexa-1,3-dien-1-yl]-3-[(6S)-6-methyl-2-propan-2-ylcyclohexa-1,3-dien-1-yl]imidazolidin-2-ide;1-[(6R)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-3-[(6S)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]imidazolidin-2-ide
CID 160509335
N-benzylidenehydroxylamine;ethane
CID 90698406
(NZ)-N-benzylidenehydroxylamine;ethane
CID 91038836
N-(2-methyl-1-phenylpropyl)-1-phenylmethanimine
CID 12733574

Frequently Asked Questions

What is the IUPAC name of N-[(6R)-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-1-phenylmethanimine?
The IUPAC name of N-[(6R)-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-1-phenylmethanimine (CID 58512819) is N-[(6R)-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-1-phenylmethanimine.
What is the SMILES notation for N-[(6R)-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-1-phenylmethanimine?
The canonical SMILES for N-[(6R)-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-1-phenylmethanimine is CC(C)C1=C(/N=C/c2ccccc2)[C@@H](C(C)C)CC=C1.
What is the InChIKey of N-[(6R)-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-1-phenylmethanimine?
The InChIKey is DNABWTCJRSGXNA-JZQBQCRLSA-N. The full InChI is InChI=1S/C19H25N/c1-14(2)17-11-8-12-18(15(3)4)19(17)20-13-16-9-6-5-7-10-16/h5-11,13-15,18H,12H2,1-4H3/b20-13+/t18-/m1/s1.
What are the key properties of N-[(6R)-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-1-phenylmethanimine?
N-[(6R)-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-1-phenylmethanimine has a molecular weight of 267.42 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6R)-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-1-phenylmethanimine is sourced from PubChem (CID 58512819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).