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

C18H17N3 — CID 59163627

IUPAC1-(3H-indol-2-yl)-N-(3H-indol-2-ylmethyl)methanamine
SMILESc1ccc2c(c1)CC(CNCC1=Nc3ccccc3C1)=N2
InChIInChI=1S/C18H17N3/c1-3-7-17-13(5-1)9-15(20-17)11-19-12-16-10-14-6-2-4-8-18(14)21-16/h1-8,19H,9-12H2
InChIKeyYSLUKAKLYKBXIY-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.23
Rot. Bonds4

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

1-(3H-indol-2-yl)-N-(3H-indol-2-ylmethyl)methanamine (PubChem CID 59163627) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 1-(3H-indol-2-yl)-N-(3H-indol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3H-indol-2-yl)-N-(3H-indol-2-ylmethyl)methanamine
PubChem CID59163627
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name1-(3H-indol-2-yl)-N-(3H-indol-2-ylmethyl)methanamine
SMILESc1ccc2c(c1)CC(CNCC1=Nc3ccccc3C1)=N2
InChIInChI=1S/C18H17N3/c1-3-7-17-13(5-1)9-15(20-17)11-19-12-16-10-14-6-2-4-8-18(14)21-16/h1-8,19H,9-12H2
InChIKeyYSLUKAKLYKBXIY-UHFFFAOYSA-N
XLogP3.23
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3H-indol-2-yl)-N,N-bis(3H-indol-2-ylmethyl)methanamine
CID 170003747
N-(3H-indol-2-ylmethyl)-2,2-dimethylpropanamide
CID 158732951
dichlorocobalt(1+);1-(3H-indol-2-yl)-N-(3H-indol-2-ylmethyl)-N-methylmethanamine
CID 59163589
2-fluoro-3H-indole
CID 174790270
CID 20813056
CID 20813056
2-[2-(3H-indol-2-yl)ethyl]quinoxaline
CID 157294886
3H-indole-2-carbonitrile
CID 66725406
4-hydroxy-3-(3H-indol-2-ylmethyl)-4-phenyl-1,3-thiazolidine-2-thione
CID 149056885
ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole
CID 91030329
pentafluoro(3H-indol-2-yl)-λ6-sulfane
CID 158591346
(5Z)-5-[[2-[4-[(3H-indol-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
CID 58312775
N,N-bis(1H-benzimidazol-2-ylmethyl)-1-(3H-indol-2-yl)methanamine
CID 161048424

Frequently Asked Questions

What is the IUPAC name of 1-(3H-indol-2-yl)-N-(3H-indol-2-ylmethyl)methanamine?
The IUPAC name of 1-(3H-indol-2-yl)-N-(3H-indol-2-ylmethyl)methanamine (CID 59163627) is 1-(3H-indol-2-yl)-N-(3H-indol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(3H-indol-2-yl)-N-(3H-indol-2-ylmethyl)methanamine?
The canonical SMILES for 1-(3H-indol-2-yl)-N-(3H-indol-2-ylmethyl)methanamine is c1ccc2c(c1)CC(CNCC1=Nc3ccccc3C1)=N2.
What is the InChIKey of 1-(3H-indol-2-yl)-N-(3H-indol-2-ylmethyl)methanamine?
The InChIKey is YSLUKAKLYKBXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-3-7-17-13(5-1)9-15(20-17)11-19-12-16-10-14-6-2-4-8-18(14)21-16/h1-8,19H,9-12H2.
What are the key properties of 1-(3H-indol-2-yl)-N-(3H-indol-2-ylmethyl)methanamine?
1-(3H-indol-2-yl)-N-(3H-indol-2-ylmethyl)methanamine has a molecular weight of 275.36 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-indol-2-yl)-N-(3H-indol-2-ylmethyl)methanamine is sourced from PubChem (CID 59163627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).