3-methyl-2-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)butan-1-amine

C15H20N2O2 — CID 82500559

IUPAC3-methyl-2-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)butan-1-amine
SMILESCC(C)C(CN)c1cn(C)c2cc3c(cc12)OCO3
InChIInChI=1S/C15H20N2O2/c1-9(2)11(6-16)12-7-17(3)13-5-15-14(4-10(12)13)18-8-19-15/h4-5,7,9,11H,6,8,16H2,1-3H3
InChIKeyIHNQCUPFWKGZIW-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.61
Rot. Bonds3

About 3-methyl-2-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)butan-1-amine

3-methyl-2-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)butan-1-amine (PubChem CID 82500559) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-methyl-2-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)butan-1-amine
PubChem CID82500559
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-methyl-2-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)butan-1-amine
SMILESCC(C)C(CN)c1cn(C)c2cc3c(cc12)OCO3
InChIInChI=1S/C15H20N2O2/c1-9(2)11(6-16)12-7-17(3)13-5-15-14(4-10(12)13)18-8-19-15/h4-5,7,9,11H,6,8,16H2,1-3H3
InChIKeyIHNQCUPFWKGZIW-UHFFFAOYSA-N
XLogP2.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)ethane-1,2-diamine
CID 82500912
[1-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)cyclopropyl]methanamine
CID 82497562
1-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)ethanone
CID 11171971
3-methyl-2-(1,6,7-trimethylindol-3-yl)butan-1-amine
CID 82497738
2-(6-chloro-1-methylindol-3-yl)propan-1-amine
CID 82494528
1-(5-chloro-1-methylindol-3-yl)-N,N-dimethylethane-1,2-diamine
CID 82499412
2-(5-tert-butyl-1-methylindol-3-yl)propan-1-amine
CID 82497727
4-(6-propan-2-yl-1,3-benzodioxol-5-yl)butan-1-amine
CID 117342934
(1R)-2-amino-1-(6-chloro-1-methylindol-3-yl)ethanol
CID 95433072
2-amino-1-(5-fluoro-1-methylindol-3-yl)ethanol
CID 82278863
ethyl 2-(1,3-benzodioxol-5-yl)-2-(6-carbamoyl-1-methylindol-3-yl)acetate
CID 22467239
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 71788660

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)butan-1-amine?
The IUPAC name of 3-methyl-2-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)butan-1-amine (CID 82500559) is 3-methyl-2-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)butan-1-amine.
What is the SMILES notation for 3-methyl-2-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)butan-1-amine?
The canonical SMILES for 3-methyl-2-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)butan-1-amine is CC(C)C(CN)c1cn(C)c2cc3c(cc12)OCO3.
What is the InChIKey of 3-methyl-2-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)butan-1-amine?
The InChIKey is IHNQCUPFWKGZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-9(2)11(6-16)12-7-17(3)13-5-15-14(4-10(12)13)18-8-19-15/h4-5,7,9,11H,6,8,16H2,1-3H3.
What are the key properties of 3-methyl-2-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)butan-1-amine?
3-methyl-2-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)butan-1-amine has a molecular weight of 260.34 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)butan-1-amine is sourced from PubChem (CID 82500559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).