1-cyclopentyl-N-[2-(cyclopentylmethylideneamino)-1,2-diphenylethyl]methanimine

C26H32N2 — CID 22981639

IUPAC1-cyclopentyl-N-[2-(cyclopentylmethylideneamino)-1,2-diphenylethyl]methanimine
SMILESC(=N/C(c1ccccc1)C(/N=C/C1CCCC1)c1ccccc1)\C1CCCC1
InChIInChI=1S/C26H32N2/c1-3-15-23(16-4-1)25(27-19-21-11-7-8-12-21)26(24-17-5-2-6-18-24)28-20-22-13-9-10-14-22/h1-6,15-22,25-26H,7-14H2/b27-19+,28-20+
InChIKeyBPUASOTUTHHUNQ-MKYUKRCKSA-N
MW372.56 g/mol
LogP6.99
Rot. Bonds7

About 1-cyclopentyl-N-[2-(cyclopentylmethylideneamino)-1,2-diphenylethyl]methanimine

1-cyclopentyl-N-[2-(cyclopentylmethylideneamino)-1,2-diphenylethyl]methanimine (PubChem CID 22981639) has the molecular formula C26H32N2 and a molecular weight of 372.56 g/mol. Its IUPAC name is 1-cyclopentyl-N-[2-(cyclopentylmethylideneamino)-1,2-diphenylethyl]methanimine.

Molecular Properties

Compound Name1-cyclopentyl-N-[2-(cyclopentylmethylideneamino)-1,2-diphenylethyl]methanimine
PubChem CID22981639
Molecular FormulaC26H32N2
Molecular Weight372.56 g/mol
Exact Mass372.26
IUPAC Name1-cyclopentyl-N-[2-(cyclopentylmethylideneamino)-1,2-diphenylethyl]methanimine
SMILESC(=N/C(c1ccccc1)C(/N=C/C1CCCC1)c1ccccc1)\C1CCCC1
InChIInChI=1S/C26H32N2/c1-3-15-23(16-4-1)25(27-19-21-11-7-8-12-21)26(24-17-5-2-6-18-24)28-20-22-13-9-10-14-22/h1-6,15-22,25-26H,7-14H2/b27-19+,28-20+
InChIKeyBPUASOTUTHHUNQ-MKYUKRCKSA-N
XLogP6.99
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.56
LogP ≤ 56.99
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

N-benzhydryl-1-cyclopropylmethanimine
CID 53415200
(2-cyclopentyl-1-phenylethyl)benzene
CID 138978826
cyclopentyl 2-[[(1S,2S)-2-[(2-cyclopentyloxycarbonyl-3-hydroxybut-2-enylidene)amino]-1,2-diphenylethyl]iminomethyl]-3-hydroxybut-2-enoate
CID 158609760
(Z,1S)-3-cyclohexyl-2-methyl-1-phenylprop-2-en-1-ol
CID 121450876
cyclopentanecarbaldehyde;2-hydroxy-2-phenylacetic acid
CID 87781655
2-cyclopentyl-1-phenylethanol
CID 15629098
(1-chloro-2-cyclopentylethyl)benzene
CID 63428897
(2,2-dicyclohexyl-1-phenylethyl)phosphane
CID 91484013
(R)-cyclopentyl(phenyl)methanol
CID 38988779
(S)-cyclopentyl(phenyl)methanol
CID 36691435
[(1S)-1-cyclopentylethyl]benzene
CID 102346711
1-[2-(2-methylpropyl)cyclohexyl]ethylbenzene
CID 154060487

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[2-(cyclopentylmethylideneamino)-1,2-diphenylethyl]methanimine?
The IUPAC name of 1-cyclopentyl-N-[2-(cyclopentylmethylideneamino)-1,2-diphenylethyl]methanimine (CID 22981639) is 1-cyclopentyl-N-[2-(cyclopentylmethylideneamino)-1,2-diphenylethyl]methanimine.
What is the SMILES notation for 1-cyclopentyl-N-[2-(cyclopentylmethylideneamino)-1,2-diphenylethyl]methanimine?
The canonical SMILES for 1-cyclopentyl-N-[2-(cyclopentylmethylideneamino)-1,2-diphenylethyl]methanimine is C(=N/C(c1ccccc1)C(/N=C/C1CCCC1)c1ccccc1)\C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-[2-(cyclopentylmethylideneamino)-1,2-diphenylethyl]methanimine?
The InChIKey is BPUASOTUTHHUNQ-MKYUKRCKSA-N. The full InChI is InChI=1S/C26H32N2/c1-3-15-23(16-4-1)25(27-19-21-11-7-8-12-21)26(24-17-5-2-6-18-24)28-20-22-13-9-10-14-22/h1-6,15-22,25-26H,7-14H2/b27-19+,28-20+.
What are the key properties of 1-cyclopentyl-N-[2-(cyclopentylmethylideneamino)-1,2-diphenylethyl]methanimine?
1-cyclopentyl-N-[2-(cyclopentylmethylideneamino)-1,2-diphenylethyl]methanimine has a molecular weight of 372.56 g/mol, XLogP of 6.99, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[2-(cyclopentylmethylideneamino)-1,2-diphenylethyl]methanimine is sourced from PubChem (CID 22981639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).