1-N'-(1H-indol-5-yl)-1-N-phenylethene-1,1-diamine;2-methylpropane

C20H25N3 — CID 171106557

IUPAC1-N'-(1H-indol-5-yl)-1-N-phenylethene-1,1-diamine;2-methylpropane
SMILESC=C(Nc1ccccc1)Nc1ccc2[nH]ccc2c1.CC(C)C
InChIInChI=1S/C16H15N3.C4H10/c1-12(18-14-5-3-2-4-6-14)19-15-7-8-16-13(11-15)9-10-17-16;1-4(2)3/h2-11,17-19H,1H2;4H,1-3H3
InChIKeyMBGLYCFXCXJLOF-UHFFFAOYSA-N
MW307.44 g/mol
LogP5.83
Rot. Bonds4

About 1-N'-(1H-indol-5-yl)-1-N-phenylethene-1,1-diamine;2-methylpropane

1-N'-(1H-indol-5-yl)-1-N-phenylethene-1,1-diamine;2-methylpropane (PubChem CID 171106557) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-N'-(1H-indol-5-yl)-1-N-phenylethene-1,1-diamine;2-methylpropane.

Molecular Properties

Compound Name1-N'-(1H-indol-5-yl)-1-N-phenylethene-1,1-diamine;2-methylpropane
PubChem CID171106557
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC Name1-N'-(1H-indol-5-yl)-1-N-phenylethene-1,1-diamine;2-methylpropane
SMILESC=C(Nc1ccccc1)Nc1ccc2[nH]ccc2c1.CC(C)C
InChIInChI=1S/C16H15N3.C4H10/c1-12(18-14-5-3-2-4-6-14)19-15-7-8-16-13(11-15)9-10-17-16;1-4(2)3/h2-11,17-19H,1H2;4H,1-3H3
InChIKeyMBGLYCFXCXJLOF-UHFFFAOYSA-N
XLogP5.83
TPSA39.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.44
LogP ≤ 55.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-indol-5-ylamino)-2-methyl-3-oxopropanoic acid
CID 114898152
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N-[1-(4-fluorophenyl)ethenyl]-1H-indol-5-amine
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1-N,1-N'-diphenylethene-1,1-diamine
CID 18406310
1-(1H-indol-5-yl)-3-[(1S)-1-phenylpropyl]urea
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CID 110473206
5-(1-anilinoethenylamino)-1,3-dihydrobenzimidazol-2-one
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N-(1H-indol-5-yl)prop-2-enamide
CID 61251524
3-hydroxy-N-(1H-indol-5-yl)-3-phenylbutanamide
CID 110024564
(2S)-2-amino-N-(1H-indol-5-yl)-3-phenylpropanamide
CID 61250453
N-(2-methylpropyl)-1H-indol-5-amine
CID 43204243
4-(1H-indol-5-yl)-N-phenylaniline
CID 134533945

Frequently Asked Questions

What is the IUPAC name of 1-N'-(1H-indol-5-yl)-1-N-phenylethene-1,1-diamine;2-methylpropane?
The IUPAC name of 1-N'-(1H-indol-5-yl)-1-N-phenylethene-1,1-diamine;2-methylpropane (CID 171106557) is 1-N'-(1H-indol-5-yl)-1-N-phenylethene-1,1-diamine;2-methylpropane.
What is the SMILES notation for 1-N'-(1H-indol-5-yl)-1-N-phenylethene-1,1-diamine;2-methylpropane?
The canonical SMILES for 1-N'-(1H-indol-5-yl)-1-N-phenylethene-1,1-diamine;2-methylpropane is C=C(Nc1ccccc1)Nc1ccc2[nH]ccc2c1.CC(C)C.
What is the InChIKey of 1-N'-(1H-indol-5-yl)-1-N-phenylethene-1,1-diamine;2-methylpropane?
The InChIKey is MBGLYCFXCXJLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3.C4H10/c1-12(18-14-5-3-2-4-6-14)19-15-7-8-16-13(11-15)9-10-17-16;1-4(2)3/h2-11,17-19H,1H2;4H,1-3H3.
What are the key properties of 1-N'-(1H-indol-5-yl)-1-N-phenylethene-1,1-diamine;2-methylpropane?
1-N'-(1H-indol-5-yl)-1-N-phenylethene-1,1-diamine;2-methylpropane has a molecular weight of 307.44 g/mol, XLogP of 5.83, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(1H-indol-5-yl)-1-N-phenylethene-1,1-diamine;2-methylpropane is sourced from PubChem (CID 171106557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).