1-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]propan-2-amine

C16H22N2 — CID 170014024

IUPAC1-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]propan-2-amine
SMILESCC(C)=CCc1ccc2c(CC(C)N)c[nH]c2c1
InChIInChI=1S/C16H22N2/c1-11(2)4-5-13-6-7-15-14(8-12(3)17)10-18-16(15)9-13/h4,6-7,9-10,12,18H,5,8,17H2,1-3H3
InChIKeyZAGULOHWGWYABC-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.57
Rot. Bonds4

About 1-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]propan-2-amine

1-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]propan-2-amine (PubChem CID 170014024) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]propan-2-amine
PubChem CID170014024
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name1-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]propan-2-amine
SMILESCC(C)=CCc1ccc2c(CC(C)N)c[nH]c2c1
InChIInChI=1S/C16H22N2/c1-11(2)4-5-13-6-7-15-14(8-12(3)17)10-18-16(15)9-13/h4,6-7,9-10,12,18H,5,8,17H2,1-3H3
InChIKeyZAGULOHWGWYABC-UHFFFAOYSA-N
XLogP3.57
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]propanoic acid
CID 164588463
3-methyl-1-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]butane-2,3-diol
CID 85086542
6-(3-methylbut-2-enyl)-3-propyl-1H-indole
CID 170014016
N-methyl-N-[2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]ethyl]propan-1-amine
CID 168840392
1-(6-methyl-1H-indol-3-yl)propan-2-amine;hydrochloride
CID 117067481
3-(2-aminopropyl)-1H-indole-6-carboxylic acid
CID 23071145
6-chloro-3-(3-methylbut-2-enyl)-1H-indole
CID 11074898
1-(6-methoxy-1H-indol-3-yl)propan-2-amine;hydrochloride
CID 2965218
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
6-(3-methylbut-2-enyl)-3-[[methyl(propan-2-yl)amino]methyl]-1H-indol-4-ol
CID 164872790
(3-ethyl-1H-indol-6-yl)methanamine
CID 115014328
(2S)-1-(5-fluoro-6-methyl-1H-indol-3-yl)propan-2-amine
CID 149406796

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]propan-2-amine?
The IUPAC name of 1-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]propan-2-amine (CID 170014024) is 1-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]propan-2-amine.
What is the SMILES notation for 1-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]propan-2-amine?
The canonical SMILES for 1-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]propan-2-amine is CC(C)=CCc1ccc2c(CC(C)N)c[nH]c2c1.
What is the InChIKey of 1-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]propan-2-amine?
The InChIKey is ZAGULOHWGWYABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-11(2)4-5-13-6-7-15-14(8-12(3)17)10-18-16(15)9-13/h4,6-7,9-10,12,18H,5,8,17H2,1-3H3.
What are the key properties of 1-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]propan-2-amine?
1-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]propan-2-amine has a molecular weight of 242.37 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]propan-2-amine is sourced from PubChem (CID 170014024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).