3-(1H-indol-5-yl)-3-(1H-indol-6-yl)-N-methylpropan-1-amine

C20H21N3 — CID 59831603

IUPAC3-(1H-indol-5-yl)-3-(1H-indol-6-yl)-N-methylpropan-1-amine
SMILESCNCCC(c1ccc2[nH]ccc2c1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C20H21N3/c1-21-9-8-18(15-4-5-19-17(12-15)7-11-22-19)16-3-2-14-6-10-23-20(14)13-16/h2-7,10-13,18,21-23H,8-9H2,1H3
InChIKeyRJMYMYZFRBOKFW-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.39
Rot. Bonds5

About 3-(1H-indol-5-yl)-3-(1H-indol-6-yl)-N-methylpropan-1-amine

3-(1H-indol-5-yl)-3-(1H-indol-6-yl)-N-methylpropan-1-amine (PubChem CID 59831603) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-(1H-indol-5-yl)-3-(1H-indol-6-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(1H-indol-5-yl)-3-(1H-indol-6-yl)-N-methylpropan-1-amine
PubChem CID59831603
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name3-(1H-indol-5-yl)-3-(1H-indol-6-yl)-N-methylpropan-1-amine
SMILESCNCCC(c1ccc2[nH]ccc2c1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C20H21N3/c1-21-9-8-18(15-4-5-19-17(12-15)7-11-22-19)16-3-2-14-6-10-23-20(14)13-16/h2-7,10-13,18,21-23H,8-9H2,1H3
InChIKeyRJMYMYZFRBOKFW-UHFFFAOYSA-N
XLogP4.39
TPSA43.61 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1H-indol-5-yl)-N-methyl-3-quinoxalin-6-ylpropan-1-amine
CID 59831857
3-(1-benzothiophen-5-yl)-3-(1H-indol-5-yl)-N-methylpropan-1-amine
CID 59831823
(3R)-3-(1H-indol-6-yl)-3-phenylpropan-1-amine
CID 124567431
(1R)-1-(1H-indol-5-yl)-N-methylethanamine
CID 55276552
1-(1H-indol-6-yl)-N-methylethanamine
CID 66967768
2-(1H-indol-5-yl)-N-methylethanamine
CID 82374641
5-propan-2-yl-1H-indole
CID 10558918
(1S)-1-(1H-indol-6-yl)-4-methylpentan-1-amine;hydrochloride
CID 171225201
3-(1H-indol-6-yl)butan-1-amine
CID 82602760
5-(1-chloroethyl)-1H-indole
CID 174700849
3-(4-methoxy-1H-indol-6-yl)-N-methyl-3-phenylpropan-1-amine;hydrochloride
CID 25261735
3-(4-chlorophenyl)-3-(1H-indol-6-yl)-N-methylpropanamide
CID 59831641

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-5-yl)-3-(1H-indol-6-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(1H-indol-5-yl)-3-(1H-indol-6-yl)-N-methylpropan-1-amine (CID 59831603) is 3-(1H-indol-5-yl)-3-(1H-indol-6-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(1H-indol-5-yl)-3-(1H-indol-6-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(1H-indol-5-yl)-3-(1H-indol-6-yl)-N-methylpropan-1-amine is CNCCC(c1ccc2[nH]ccc2c1)c1ccc2cc[nH]c2c1.
What is the InChIKey of 3-(1H-indol-5-yl)-3-(1H-indol-6-yl)-N-methylpropan-1-amine?
The InChIKey is RJMYMYZFRBOKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3/c1-21-9-8-18(15-4-5-19-17(12-15)7-11-22-19)16-3-2-14-6-10-23-20(14)13-16/h2-7,10-13,18,21-23H,8-9H2,1H3.
What are the key properties of 3-(1H-indol-5-yl)-3-(1H-indol-6-yl)-N-methylpropan-1-amine?
3-(1H-indol-5-yl)-3-(1H-indol-6-yl)-N-methylpropan-1-amine has a molecular weight of 303.41 g/mol, XLogP of 4.39, 5 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-5-yl)-3-(1H-indol-6-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 59831603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).