1-(3H-indol-2-yl)-N,N-bis(3H-indol-2-ylmethyl)methanamine

C27H24N4 — CID 170003747

IUPAC1-(3H-indol-2-yl)-N,N-bis(3H-indol-2-ylmethyl)methanamine
SMILESc1ccc2c(c1)CC(CN(CC1=Nc3ccccc3C1)CC1=Nc3ccccc3C1)=N2
InChIInChI=1S/C27H24N4/c1-4-10-25-19(7-1)13-22(28-25)16-31(17-23-14-20-8-2-5-11-26(20)29-23)18-24-15-21-9-3-6-12-27(21)30-24/h1-12H,13-18H2
InChIKeyAOQVERRYSAUAMS-UHFFFAOYSA-N
MW404.52 g/mol
LogP5.27
Rot. Bonds6

About 1-(3H-indol-2-yl)-N,N-bis(3H-indol-2-ylmethyl)methanamine

1-(3H-indol-2-yl)-N,N-bis(3H-indol-2-ylmethyl)methanamine (PubChem CID 170003747) has the molecular formula C27H24N4 and a molecular weight of 404.52 g/mol. Its IUPAC name is 1-(3H-indol-2-yl)-N,N-bis(3H-indol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3H-indol-2-yl)-N,N-bis(3H-indol-2-ylmethyl)methanamine
PubChem CID170003747
Molecular FormulaC27H24N4
Molecular Weight404.52 g/mol
Exact Mass404.20
IUPAC Name1-(3H-indol-2-yl)-N,N-bis(3H-indol-2-ylmethyl)methanamine
SMILESc1ccc2c(c1)CC(CN(CC1=Nc3ccccc3C1)CC1=Nc3ccccc3C1)=N2
InChIInChI=1S/C27H24N4/c1-4-10-25-19(7-1)13-22(28-25)16-31(17-23-14-20-8-2-5-11-26(20)29-23)18-24-15-21-9-3-6-12-27(21)30-24/h1-12H,13-18H2
InChIKeyAOQVERRYSAUAMS-UHFFFAOYSA-N
XLogP5.27
TPSA40.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.52
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-Benzyl-1H-quinolin-4-ylidene)-pentyl-amine
CID 656767
[1-Benzyl-1H-quinolin-(4E)-ylidene]-hexyl-amine
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Indolo(3,2-b)carbazole
CID 114764
3-(1-Benzyl-4-pyridinylidene)indole
CID 12858718
2-(2-(3H-indol-3-ylidene)ethylidene)-1-methyl-1,2-dihydroquinoline
CID 53319349
2-phenyl-3-(1-phenylpiperidin-4-yl)-3H-indole
CID 53321464
1-Benzyl-4-phenyliminopiperidine
CID 13860895
12,16,17,18-Tetrahydroyohimban
CID 162843775
N,N-dimethyl-4-[(Z)-(2-methylindol-3-ylidene)methyl]aniline
CID 53315530
N-(11H-indolo[3,2-b]quinolin-11-yl)-N',N'-dimethylpropane-1,3-diamine
CID 137637484
Indolo[2,3-a]carbazole
CID 21882147
4a-phenyl-2,3,4,4a-tetrahydro-1H-carbazole
CID 338157

Frequently Asked Questions

What is the IUPAC name of 1-(3H-indol-2-yl)-N,N-bis(3H-indol-2-ylmethyl)methanamine?
The IUPAC name of 1-(3H-indol-2-yl)-N,N-bis(3H-indol-2-ylmethyl)methanamine (CID 170003747) is 1-(3H-indol-2-yl)-N,N-bis(3H-indol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(3H-indol-2-yl)-N,N-bis(3H-indol-2-ylmethyl)methanamine?
The canonical SMILES for 1-(3H-indol-2-yl)-N,N-bis(3H-indol-2-ylmethyl)methanamine is c1ccc2c(c1)CC(CN(CC1=Nc3ccccc3C1)CC1=Nc3ccccc3C1)=N2.
What is the InChIKey of 1-(3H-indol-2-yl)-N,N-bis(3H-indol-2-ylmethyl)methanamine?
The InChIKey is AOQVERRYSAUAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4/c1-4-10-25-19(7-1)13-22(28-25)16-31(17-23-14-20-8-2-5-11-26(20)29-23)18-24-15-21-9-3-6-12-27(21)30-24/h1-12H,13-18H2.
What are the key properties of 1-(3H-indol-2-yl)-N,N-bis(3H-indol-2-ylmethyl)methanamine?
1-(3H-indol-2-yl)-N,N-bis(3H-indol-2-ylmethyl)methanamine has a molecular weight of 404.52 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-indol-2-yl)-N,N-bis(3H-indol-2-ylmethyl)methanamine is sourced from PubChem (CID 170003747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).