N-(2,2-diphenylethyl)-N'-(3-ethyl-2-methylcyclohexyl)ethane-1,2-diamine

C25H36N2 — CID 67990569

IUPACN-(2,2-diphenylethyl)-N'-(3-ethyl-2-methylcyclohexyl)ethane-1,2-diamine
SMILESCCC1CCCC(NCCNCC(c2ccccc2)c2ccccc2)C1C
InChIInChI=1S/C25H36N2/c1-3-21-15-10-16-25(20(21)2)27-18-17-26-19-24(22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-9,11-14,20-21,24-27H,3,10,15-19H2,1-2H3
InChIKeyYWTISZVKIZINSA-UHFFFAOYSA-N
MW364.58 g/mol
LogP5.21
Rot. Bonds9

About N-(2,2-diphenylethyl)-N'-(3-ethyl-2-methylcyclohexyl)ethane-1,2-diamine

N-(2,2-diphenylethyl)-N'-(3-ethyl-2-methylcyclohexyl)ethane-1,2-diamine (PubChem CID 67990569) has the molecular formula C25H36N2 and a molecular weight of 364.58 g/mol. Its IUPAC name is N-(2,2-diphenylethyl)-N'-(3-ethyl-2-methylcyclohexyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,2-diphenylethyl)-N'-(3-ethyl-2-methylcyclohexyl)ethane-1,2-diamine
PubChem CID67990569
Molecular FormulaC25H36N2
Molecular Weight364.58 g/mol
Exact Mass364.29
IUPAC NameN-(2,2-diphenylethyl)-N'-(3-ethyl-2-methylcyclohexyl)ethane-1,2-diamine
SMILESCCC1CCCC(NCCNCC(c2ccccc2)c2ccccc2)C1C
InChIInChI=1S/C25H36N2/c1-3-21-15-10-16-25(20(21)2)27-18-17-26-19-24(22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-9,11-14,20-21,24-27H,3,10,15-19H2,1-2H3
InChIKeyYWTISZVKIZINSA-UHFFFAOYSA-N
XLogP5.21
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.58
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2,2-diphenylethyl)-N'-(3-ethyl-2-methylcyclohexyl)ethane-1,2-diamine with MolForge

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Related Compounds

2-ethyl-N-(3-phenylbutyl)cyclopentan-1-amine
CID 113483440
2-[(2-ethylcyclopentyl)amino]-1-phenylethanol
CID 115706038
N-cyclooctyl-N'-(3-ethyl-2-methylcyclohexyl)ethane-1,2-diamine
CID 67990591
trans-(1S,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 45095253
3-ethyl-2-methyl-N-(4-phenylbutyl)cyclopentan-1-amine
CID 114333391
N-benzyl-3-ethyl-2-methylcyclopentan-1-amine
CID 64920559
cis-(1S,2S)-2-ethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-amine
CID 58193955
3-[(2,3-dimethylcyclohexyl)amino]-2-phenylpropanenitrile
CID 64533581
N-(cyclobutylmethyl)-2,2-diphenylethanamine
CID 107292720
N-butyl-N'-(2,2-diphenylethyl)ethane-1,2-diamine
CID 23394686
N'-(2,2-diphenylethyl)-N-(3-ethoxypropyl)ethane-1,2-diamine
CID 10381752
N-(cyclopentylmethyl)-2,2-diphenylethanamine
CID 107292721

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethyl)-N'-(3-ethyl-2-methylcyclohexyl)ethane-1,2-diamine?
The IUPAC name of N-(2,2-diphenylethyl)-N'-(3-ethyl-2-methylcyclohexyl)ethane-1,2-diamine (CID 67990569) is N-(2,2-diphenylethyl)-N'-(3-ethyl-2-methylcyclohexyl)ethane-1,2-diamine.
What is the SMILES notation for N-(2,2-diphenylethyl)-N'-(3-ethyl-2-methylcyclohexyl)ethane-1,2-diamine?
The canonical SMILES for N-(2,2-diphenylethyl)-N'-(3-ethyl-2-methylcyclohexyl)ethane-1,2-diamine is CCC1CCCC(NCCNCC(c2ccccc2)c2ccccc2)C1C.
What is the InChIKey of N-(2,2-diphenylethyl)-N'-(3-ethyl-2-methylcyclohexyl)ethane-1,2-diamine?
The InChIKey is YWTISZVKIZINSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2/c1-3-21-15-10-16-25(20(21)2)27-18-17-26-19-24(22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-9,11-14,20-21,24-27H,3,10,15-19H2,1-2H3.
What are the key properties of N-(2,2-diphenylethyl)-N'-(3-ethyl-2-methylcyclohexyl)ethane-1,2-diamine?
N-(2,2-diphenylethyl)-N'-(3-ethyl-2-methylcyclohexyl)ethane-1,2-diamine has a molecular weight of 364.58 g/mol, XLogP of 5.21, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethyl)-N'-(3-ethyl-2-methylcyclohexyl)ethane-1,2-diamine is sourced from PubChem (CID 67990569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).