4,4,4-triphenylbutane-1,1-diamine

C22H24N2 — CID 70294591

IUPAC4,4,4-triphenylbutane-1,1-diamine
SMILESNC(N)CCC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24N2/c23-21(24)16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17,23-24H2
InChIKeyOAHQYHDTDYGFJL-UHFFFAOYSA-N
MW316.45 g/mol
LogP4.04
Rot. Bonds6

About 4,4,4-triphenylbutane-1,1-diamine

4,4,4-triphenylbutane-1,1-diamine (PubChem CID 70294591) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 4,4,4-triphenylbutane-1,1-diamine.

Molecular Properties

Compound Name4,4,4-triphenylbutane-1,1-diamine
PubChem CID70294591
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Name4,4,4-triphenylbutane-1,1-diamine
SMILESNC(N)CCC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24N2/c23-21(24)16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17,23-24H2
InChIKeyOAHQYHDTDYGFJL-UHFFFAOYSA-N
XLogP4.04
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

3,3,3-triphenylpropan-1-amine
CID 10125450
CID 123237849
CID 123237849
3,3,3-triphenylpropylphosphane;hydrobromide
CID 118389375
(2S)-3-ethyl-3-phenylpentan-2-amine
CID 64712581
(6-ethoxy-1,1-diphenylheptyl)benzene
CID 175940887
(2S)-1-bromo-1,1-diphenylpentan-2-amine
CID 141139312
2,2,2-triphenylethylphosphanium chloride
CID 21496958
10,10,10-triphenyldecylhydrazine
CID 150931504
10,10,10-triphenyldecylphosphanium bromide
CID 69307814
13,13,13-triphenyltridecylphosphanium bromide
CID 71354528
5-ethyl-1,1,1-trifluoro-5-phenylheptan-4-amine
CID 64564957
1,1,1-triphenylhexan-2-amine
CID 164823082

Frequently Asked Questions

What is the IUPAC name of 4,4,4-triphenylbutane-1,1-diamine?
The IUPAC name of 4,4,4-triphenylbutane-1,1-diamine (CID 70294591) is 4,4,4-triphenylbutane-1,1-diamine.
What is the SMILES notation for 4,4,4-triphenylbutane-1,1-diamine?
The canonical SMILES for 4,4,4-triphenylbutane-1,1-diamine is NC(N)CCC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4,4,4-triphenylbutane-1,1-diamine?
The InChIKey is OAHQYHDTDYGFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2/c23-21(24)16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17,23-24H2.
What are the key properties of 4,4,4-triphenylbutane-1,1-diamine?
4,4,4-triphenylbutane-1,1-diamine has a molecular weight of 316.45 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-triphenylbutane-1,1-diamine is sourced from PubChem (CID 70294591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).