3-(1H-indol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine

C15H22N2 — CID 166727731

IUPAC3-(1H-indol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCC(CNC(C)C)Cc1cccc2[nH]ccc12
InChIInChI=1S/C15H22N2/c1-11(2)17-10-12(3)9-13-5-4-6-15-14(13)7-8-16-15/h4-8,11-12,16-17H,9-10H2,1-3H3
InChIKeyOHPSIKKZQKSAFQ-UHFFFAOYSA-N
MW230.36 g/mol
LogP3.34
Rot. Bonds5

About 3-(1H-indol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine

3-(1H-indol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine (PubChem CID 166727731) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 3-(1H-indol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(1H-indol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine
PubChem CID166727731
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name3-(1H-indol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCC(CNC(C)C)Cc1cccc2[nH]ccc12
InChIInChI=1S/C15H22N2/c1-11(2)17-10-12(3)9-13-5-4-6-15-14(13)7-8-16-15/h4-8,11-12,16-17H,9-10H2,1-3H3
InChIKeyOHPSIKKZQKSAFQ-UHFFFAOYSA-N
XLogP3.34
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 3-(1H-indol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine
CID 17221020
(2R)-2-N-(1H-indol-4-ylmethyl)propane-1,2-diamine
CID 104868036
(2R)-1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 172866223
1-(1H-indol-4-ylmethylamino)-4-methylpentan-2-ol
CID 110928680
1-(3,5-dimethylphenyl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 119125336
3-(1H-indol-4-ylmethylamino)butan-1-ol
CID 78997696
N-(1H-indol-4-ylmethyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 63001401
ethane;1H-indol-4-ylmethanamine
CID 144540106
4-(2-methylbut-2-enyl)-1H-indole
CID 141009102
N-(1H-indol-4-ylmethyl)-4-methoxybutan-2-amine
CID 63001738
(1R)-N-(1H-indol-4-ylmethyl)-1-(2-methylphenyl)ethanamine
CID 81373106
4-(iodomethyl)-1H-indole
CID 143791617

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(1H-indol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine (CID 166727731) is 3-(1H-indol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(1H-indol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(1H-indol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine is CC(CNC(C)C)Cc1cccc2[nH]ccc12.
What is the InChIKey of 3-(1H-indol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine?
The InChIKey is OHPSIKKZQKSAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-11(2)17-10-12(3)9-13-5-4-6-15-14(13)7-8-16-15/h4-8,11-12,16-17H,9-10H2,1-3H3.
What are the key properties of 3-(1H-indol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine?
3-(1H-indol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine has a molecular weight of 230.36 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 166727731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).