3-(1H-indol-3-yl)-2-N-tritylpropane-1,2-diamine

C30H29N3 — CID 10717575

IUPAC3-(1H-indol-3-yl)-2-N-tritylpropane-1,2-diamine
SMILESNCC(Cc1c[nH]c2ccccc12)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H29N3/c31-21-27(20-23-22-32-29-19-11-10-18-28(23)29)33-30(24-12-4-1-5-13-24,25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1-19,22,27,32-33H,20-21,31H2
InChIKeyFZNVQXUDGXQMOQ-UHFFFAOYSA-N
MW431.58 g/mol
LogP5.62
Rot. Bonds8

About 3-(1H-indol-3-yl)-2-N-tritylpropane-1,2-diamine

3-(1H-indol-3-yl)-2-N-tritylpropane-1,2-diamine (PubChem CID 10717575) has the molecular formula C30H29N3 and a molecular weight of 431.58 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-2-N-tritylpropane-1,2-diamine.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-2-N-tritylpropane-1,2-diamine
PubChem CID10717575
Molecular FormulaC30H29N3
Molecular Weight431.58 g/mol
Exact Mass431.24
IUPAC Name3-(1H-indol-3-yl)-2-N-tritylpropane-1,2-diamine
SMILESNCC(Cc1c[nH]c2ccccc12)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H29N3/c31-21-27(20-23-22-32-29-19-11-10-18-28(23)29)33-30(24-12-4-1-5-13-24,25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1-19,22,27,32-33H,20-21,31H2
InChIKeyFZNVQXUDGXQMOQ-UHFFFAOYSA-N
XLogP5.62
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 55.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-benzyl-3-(1H-indol-3-yl)-1-N-methyl-2-N-tritylpropane-1,2-diamine;ethane
CID 91359287
(2S)-3-(1H-indol-3-yl)-2-(tritylamino)propanoic acid;3-(1H-indol-3-yl)-2-(tritylamino)propanoic acid
CID 67623773
2-fluoro-3-(1H-indol-3-yl)propan-1-amine
CID 134163133
(2S)-1-(1H-indol-3-yl)-N-methylbutan-2-amine
CID 96657140
N-[3-(1H-indol-3-yl)-2-(tritylamino)propyl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 10507700
3-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]-2-(tritylamino)propanamide;molecular hydrogen
CID 159748333
2-(1H-indol-3-yl)ethane-1,1-diol
CID 21400411
(3S)-3-[[1-amino-4-(2-fluorophenyl)butan-2-yl]amino]-4-(1H-indol-3-yl)butanoic acid
CID 70199036
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
1H-indol-3-ylmethanamine;hydrochloride
CID 52986033
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305
(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
CID 162642150

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-2-N-tritylpropane-1,2-diamine?
The IUPAC name of 3-(1H-indol-3-yl)-2-N-tritylpropane-1,2-diamine (CID 10717575) is 3-(1H-indol-3-yl)-2-N-tritylpropane-1,2-diamine.
What is the SMILES notation for 3-(1H-indol-3-yl)-2-N-tritylpropane-1,2-diamine?
The canonical SMILES for 3-(1H-indol-3-yl)-2-N-tritylpropane-1,2-diamine is NCC(Cc1c[nH]c2ccccc12)NC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(1H-indol-3-yl)-2-N-tritylpropane-1,2-diamine?
The InChIKey is FZNVQXUDGXQMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3/c31-21-27(20-23-22-32-29-19-11-10-18-28(23)29)33-30(24-12-4-1-5-13-24,25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1-19,22,27,32-33H,20-21,31H2.
What are the key properties of 3-(1H-indol-3-yl)-2-N-tritylpropane-1,2-diamine?
3-(1H-indol-3-yl)-2-N-tritylpropane-1,2-diamine has a molecular weight of 431.58 g/mol, XLogP of 5.62, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-2-N-tritylpropane-1,2-diamine is sourced from PubChem (CID 10717575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).