N-[1-[(2-methylpropan-2-yl)oxy]hexan-2-yl]-1,1-diphenylmethanimine

C23H31NO — CID 123914271

IUPACN-[1-[(2-methylpropan-2-yl)oxy]hexan-2-yl]-1,1-diphenylmethanimine
SMILESCCCCC(COC(C)(C)C)N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NO/c1-5-6-17-21(18-25-23(2,3)4)24-22(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,21H,5-6,17-18H2,1-4H3
InChIKeyYEFKEBCSTPARPD-UHFFFAOYSA-N
MW337.51 g/mol
LogP5.90
Rot. Bonds8

About N-[1-[(2-methylpropan-2-yl)oxy]hexan-2-yl]-1,1-diphenylmethanimine

N-[1-[(2-methylpropan-2-yl)oxy]hexan-2-yl]-1,1-diphenylmethanimine (PubChem CID 123914271) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is N-[1-[(2-methylpropan-2-yl)oxy]hexan-2-yl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[1-[(2-methylpropan-2-yl)oxy]hexan-2-yl]-1,1-diphenylmethanimine
PubChem CID123914271
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC NameN-[1-[(2-methylpropan-2-yl)oxy]hexan-2-yl]-1,1-diphenylmethanimine
SMILESCCCCC(COC(C)(C)C)N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NO/c1-5-6-17-21(18-25-23(2,3)4)24-22(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,21H,5-6,17-18H2,1-4H3
InChIKeyYEFKEBCSTPARPD-UHFFFAOYSA-N
XLogP5.90
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 55.90
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

(+)-2,2'-Isopropylidenebis[(4R)-4-benzyl-2-oxazoline]
CID 10981320
(4S,4'S)-2,2'-(Pentane-3,3'-diyl)bis(4-benzyl-4,5-dihydrooxazole)
CID 10960121
(E)-[2-(4-Benzyl-2,2-dimethyloxan-4-YL)ethyl](phenylmethylidene)amine
CID 4311167
Ethyl 2-[(diphenylmethylene)amino]-4-pentenoate
CID 10470478
(R(R*,R*))-(+)-2,2'-(isopropylidenebis(4-benzyl-2-oxazoline)
CID 4660577
Tert-butyl 2-(benzhydrylideneamino)pent-4-enoate
CID 10382321
tert-butyl (2R)-2-(benzhydrylideneamino)pent-4-enoate
CID 10969722
t-Butyl (s)-2-((diphenylmethylene)amino)pent-4-enoate
CID 11045937
2,2-Bis[(4S)-4-benzyl-2-oxazolin-2-yl]propane
CID 11125615
tert-butyl (2S)-2-(benzhydrylideneamino)-4-methylpent-4-enoate
CID 11360059
Ethyl 2-((diphenylmethylene)amino)-4-methylpent-4-enoate
CID 15610108
Tert-butyl 2-(benzhydrylideneamino)-4-methylpentanoate
CID 72825409

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methylpropan-2-yl)oxy]hexan-2-yl]-1,1-diphenylmethanimine?
The IUPAC name of N-[1-[(2-methylpropan-2-yl)oxy]hexan-2-yl]-1,1-diphenylmethanimine (CID 123914271) is N-[1-[(2-methylpropan-2-yl)oxy]hexan-2-yl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[1-[(2-methylpropan-2-yl)oxy]hexan-2-yl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[1-[(2-methylpropan-2-yl)oxy]hexan-2-yl]-1,1-diphenylmethanimine is CCCCC(COC(C)(C)C)N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[1-[(2-methylpropan-2-yl)oxy]hexan-2-yl]-1,1-diphenylmethanimine?
The InChIKey is YEFKEBCSTPARPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO/c1-5-6-17-21(18-25-23(2,3)4)24-22(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,21H,5-6,17-18H2,1-4H3.
What are the key properties of N-[1-[(2-methylpropan-2-yl)oxy]hexan-2-yl]-1,1-diphenylmethanimine?
N-[1-[(2-methylpropan-2-yl)oxy]hexan-2-yl]-1,1-diphenylmethanimine has a molecular weight of 337.51 g/mol, XLogP of 5.90, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methylpropan-2-yl)oxy]hexan-2-yl]-1,1-diphenylmethanimine is sourced from PubChem (CID 123914271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).