N'-cyclohexyl-N-(3,3-diphenylpropyl)-N'-methylethane-1,2-diamine

C24H34N2 — CID 59728996

IUPACN'-cyclohexyl-N-(3,3-diphenylpropyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNCCC(c1ccccc1)c1ccccc1)C1CCCCC1
InChIInChI=1S/C24H34N2/c1-26(23-15-9-4-10-16-23)20-19-25-18-17-24(21-11-5-2-6-12-21)22-13-7-3-8-14-22/h2-3,5-8,11-14,23-25H,4,9-10,15-20H2,1H3
InChIKeyQFCGILMSJQQJAX-UHFFFAOYSA-N
MW350.55 g/mol
LogP5.06
Rot. Bonds9

About N'-cyclohexyl-N-(3,3-diphenylpropyl)-N'-methylethane-1,2-diamine

N'-cyclohexyl-N-(3,3-diphenylpropyl)-N'-methylethane-1,2-diamine (PubChem CID 59728996) has the molecular formula C24H34N2 and a molecular weight of 350.55 g/mol. Its IUPAC name is N'-cyclohexyl-N-(3,3-diphenylpropyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N-(3,3-diphenylpropyl)-N'-methylethane-1,2-diamine
PubChem CID59728996
Molecular FormulaC24H34N2
Molecular Weight350.55 g/mol
Exact Mass350.27
IUPAC NameN'-cyclohexyl-N-(3,3-diphenylpropyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNCCC(c1ccccc1)c1ccccc1)C1CCCCC1
InChIInChI=1S/C24H34N2/c1-26(23-15-9-4-10-16-23)20-19-25-18-17-24(21-11-5-2-6-12-21)22-13-7-3-8-14-22/h2-3,5-8,11-14,23-25H,4,9-10,15-20H2,1H3
InChIKeyQFCGILMSJQQJAX-UHFFFAOYSA-N
XLogP5.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.55
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclohexyl(methyl)amino]-N-(3,3-diphenylpropyl)acetamide
CID 68887856
2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol
CID 63314661
N'-cyclopentyl-N-(2,2-difluoro-2-phenylethyl)-N'-methylethane-1,2-diamine
CID 116789072
N'-cyclohexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62425000
N'-cyclopropyl-N'-methyl-N-(1-phenylethyl)ethane-1,2-diamine
CID 62975342
N'-cyclohexyl-N'-methyl-N-(3-methylbutyl)propane-1,3-diamine
CID 60732733
N'-cyclopropyl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 62575619
3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methyl-3-phenylpropanamide
CID 119878746
(1R,5S)-6,6-dimethylbicyclo[3.1.1]heptane;N'-(3,3-diphenylpropyl)-N-ethylethane-1,2-diamine
CID 90744195
N-methyl-N-[(1R)-1-phenylethyl]cyclohexanamine
CID 68742462
3-[2-[cyclopentyl(methyl)amino]ethylamino]propanoic acid
CID 63317939
N-methyl-N-(2-phenylsulfanylethyl)cyclohexanamine
CID 78962138

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-(3,3-diphenylpropyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-cyclohexyl-N-(3,3-diphenylpropyl)-N'-methylethane-1,2-diamine (CID 59728996) is N'-cyclohexyl-N-(3,3-diphenylpropyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-cyclohexyl-N-(3,3-diphenylpropyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-cyclohexyl-N-(3,3-diphenylpropyl)-N'-methylethane-1,2-diamine is CN(CCNCCC(c1ccccc1)c1ccccc1)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N-(3,3-diphenylpropyl)-N'-methylethane-1,2-diamine?
The InChIKey is QFCGILMSJQQJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2/c1-26(23-15-9-4-10-16-23)20-19-25-18-17-24(21-11-5-2-6-12-21)22-13-7-3-8-14-22/h2-3,5-8,11-14,23-25H,4,9-10,15-20H2,1H3.
What are the key properties of N'-cyclohexyl-N-(3,3-diphenylpropyl)-N'-methylethane-1,2-diamine?
N'-cyclohexyl-N-(3,3-diphenylpropyl)-N'-methylethane-1,2-diamine has a molecular weight of 350.55 g/mol, XLogP of 5.06, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-(3,3-diphenylpropyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 59728996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).