1-(3-methoxy-3-methylbutyl)indol-5-amine

C14H20N2O — CID 103033678

IUPAC1-(3-methoxy-3-methylbutyl)indol-5-amine
SMILESCOC(C)(C)CCn1ccc2cc(N)ccc21
InChIInChI=1S/C14H20N2O/c1-14(2,17-3)7-9-16-8-6-11-10-12(15)4-5-13(11)16/h4-6,8,10H,7,9,15H2,1-3H3
InChIKeyWUCHELIDHUVGMD-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.04
Rot. Bonds4

About 1-(3-methoxy-3-methylbutyl)indol-5-amine

1-(3-methoxy-3-methylbutyl)indol-5-amine (PubChem CID 103033678) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(3-methoxy-3-methylbutyl)indol-5-amine.

Molecular Properties

Compound Name1-(3-methoxy-3-methylbutyl)indol-5-amine
PubChem CID103033678
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(3-methoxy-3-methylbutyl)indol-5-amine
SMILESCOC(C)(C)CCn1ccc2cc(N)ccc21
InChIInChI=1S/C14H20N2O/c1-14(2,17-3)7-9-16-8-6-11-10-12(15)4-5-13(11)16/h4-6,8,10H,7,9,15H2,1-3H3
InChIKeyWUCHELIDHUVGMD-UHFFFAOYSA-N
XLogP3.04
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk_indol_A(1)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N,N-Dimethyltryptamine
CID 6089
Gramine
CID 6890
Methyltryptamine
CID 6088
Alpha-Ethyltryptamine
CID 8367
N,N-Diethyltryptamine
CID 6090
3-Amino-9-ethylcarbazole
CID 8588
Ethanone, 1-(1H-indol-1-yl)-
CID 68470
1-Methyl-1H-indole-3-ethylamine
CID 23492
N,N-Dipropyltryptamine
CID 6091
N,N-Dimethylhomotryptamine
CID 52549
1-Methylindole
CID 11781
1H-indole-1-propionamide
CID 88755

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-3-methylbutyl)indol-5-amine?
The IUPAC name of 1-(3-methoxy-3-methylbutyl)indol-5-amine (CID 103033678) is 1-(3-methoxy-3-methylbutyl)indol-5-amine.
What is the SMILES notation for 1-(3-methoxy-3-methylbutyl)indol-5-amine?
The canonical SMILES for 1-(3-methoxy-3-methylbutyl)indol-5-amine is COC(C)(C)CCn1ccc2cc(N)ccc21.
What is the InChIKey of 1-(3-methoxy-3-methylbutyl)indol-5-amine?
The InChIKey is WUCHELIDHUVGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-14(2,17-3)7-9-16-8-6-11-10-12(15)4-5-13(11)16/h4-6,8,10H,7,9,15H2,1-3H3.
What are the key properties of 1-(3-methoxy-3-methylbutyl)indol-5-amine?
1-(3-methoxy-3-methylbutyl)indol-5-amine has a molecular weight of 232.33 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-3-methylbutyl)indol-5-amine is sourced from PubChem (CID 103033678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).