N-butyl-N'-(2,2-diphenylethyl)ethane-1,2-diamine

C20H28N2 — CID 23394686

IUPACN-butyl-N'-(2,2-diphenylethyl)ethane-1,2-diamine
SMILESCCCCNCCNCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H28N2/c1-2-3-14-21-15-16-22-17-20(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20-22H,2-3,14-17H2,1H3
InChIKeyHKKFRUZZGIEEDP-UHFFFAOYSA-N
MW296.46 g/mol
LogP3.80
Rot. Bonds10

About N-butyl-N'-(2,2-diphenylethyl)ethane-1,2-diamine

N-butyl-N'-(2,2-diphenylethyl)ethane-1,2-diamine (PubChem CID 23394686) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is N-butyl-N'-(2,2-diphenylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-butyl-N'-(2,2-diphenylethyl)ethane-1,2-diamine
PubChem CID23394686
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC NameN-butyl-N'-(2,2-diphenylethyl)ethane-1,2-diamine
SMILESCCCCNCCNCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H28N2/c1-2-3-14-21-15-16-22-17-20(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20-22H,2-3,14-17H2,1H3
InChIKeyHKKFRUZZGIEEDP-UHFFFAOYSA-N
XLogP3.80
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,2-diphenylethyl)-N-(3-ethoxypropyl)ethane-1,2-diamine
CID 10381752
N-(3,3-diphenylpropyl)octadecan-1-amine
CID 57060547
N-(2,2-diphenylethyl)-N',N'-dimethylpropane-1,3-diamine
CID 103603219
N-(2,2-diphenylethyl)-4-methoxybutan-1-amine
CID 103896916
N-(3,3-diphenylpropyl)octadecan-1-amine;hydrate
CID 173442181
cumene;N-octadecyloctadecan-1-amine
CID 67656725
(1S)-2-(hexylamino)-1-phenylethanol
CID 102581936
(2S)-N-butyl-2-phenyl-5-propyloctan-1-amine
CID 142174124
N-butyl-N'-(2-phenylethyl)ethane-1,2-diamine
CID 54806957
N-[(2R)-2-cyclohexyl-2-phenylethyl]butan-1-amine
CID 125466458
sodium 3-(2,2-diphenylethylamino)propane-1-sulfonate
CID 23676813
N-[2,2-bis(3-chloro-4-methylphenyl)ethyl]butan-1-amine
CID 173069092

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-(2,2-diphenylethyl)ethane-1,2-diamine?
The IUPAC name of N-butyl-N'-(2,2-diphenylethyl)ethane-1,2-diamine (CID 23394686) is N-butyl-N'-(2,2-diphenylethyl)ethane-1,2-diamine.
What is the SMILES notation for N-butyl-N'-(2,2-diphenylethyl)ethane-1,2-diamine?
The canonical SMILES for N-butyl-N'-(2,2-diphenylethyl)ethane-1,2-diamine is CCCCNCCNCC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-butyl-N'-(2,2-diphenylethyl)ethane-1,2-diamine?
The InChIKey is HKKFRUZZGIEEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2/c1-2-3-14-21-15-16-22-17-20(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20-22H,2-3,14-17H2,1H3.
What are the key properties of N-butyl-N'-(2,2-diphenylethyl)ethane-1,2-diamine?
N-butyl-N'-(2,2-diphenylethyl)ethane-1,2-diamine has a molecular weight of 296.46 g/mol, XLogP of 3.80, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-(2,2-diphenylethyl)ethane-1,2-diamine is sourced from PubChem (CID 23394686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).