3-methyl-2-(1,6,7-trimethylindol-3-yl)butan-1-amine

C16H24N2 — CID 82497738

IUPAC3-methyl-2-(1,6,7-trimethylindol-3-yl)butan-1-amine
SMILESCc1ccc2c(C(CN)C(C)C)cn(C)c2c1C
InChIInChI=1S/C16H24N2/c1-10(2)14(8-17)15-9-18(5)16-12(4)11(3)6-7-13(15)16/h6-7,9-10,14H,8,17H2,1-5H3
InChIKeyDUMKZHSDGDMPSQ-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.49
Rot. Bonds3

About 3-methyl-2-(1,6,7-trimethylindol-3-yl)butan-1-amine

3-methyl-2-(1,6,7-trimethylindol-3-yl)butan-1-amine (PubChem CID 82497738) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-methyl-2-(1,6,7-trimethylindol-3-yl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-(1,6,7-trimethylindol-3-yl)butan-1-amine
PubChem CID82497738
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name3-methyl-2-(1,6,7-trimethylindol-3-yl)butan-1-amine
SMILESCc1ccc2c(C(CN)C(C)C)cn(C)c2c1C
InChIInChI=1S/C16H24N2/c1-10(2)14(8-17)15-9-18(5)16-12(4)11(3)6-7-13(15)16/h6-7,9-10,14H,8,17H2,1-5H3
InChIKeyDUMKZHSDGDMPSQ-UHFFFAOYSA-N
XLogP3.49
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-ethyl-1-methylindol-3-yl)-3-methylbutan-1-amine
CID 82497776
2-(1,6,7-trimethylindol-3-yl)propan-2-amine
CID 83486241
2-(1,4,7-trimethylindol-3-yl)propan-1-amine
CID 82493196
1-(6-chloro-1,7-dimethylindol-3-yl)ethanamine
CID 83868421
3-(1,7-dimethylindol-3-yl)-4-methylpentanoic acid
CID 82278709
2-amino-1-(1,4,7-trimethylindol-3-yl)ethanol
CID 82493670
3-methyl-2-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)butan-1-amine
CID 82500559
1,6,7-trimethylindole-3-carbonitrile
CID 82490741
1-(6-chloro-1,7-dimethylindol-3-yl)-N-methylethanamine
CID 83868417
3-methyl-2-(1,2,7-trimethylindol-3-yl)butan-1-amine
CID 82497735
1-amino-4-methyl-2-(2-methylphenyl)pentan-3-ol
CID 65184879
2-(2-bromo-3-methylphenyl)-3-methylbutan-1-amine
CID 83730937

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(1,6,7-trimethylindol-3-yl)butan-1-amine?
The IUPAC name of 3-methyl-2-(1,6,7-trimethylindol-3-yl)butan-1-amine (CID 82497738) is 3-methyl-2-(1,6,7-trimethylindol-3-yl)butan-1-amine.
What is the SMILES notation for 3-methyl-2-(1,6,7-trimethylindol-3-yl)butan-1-amine?
The canonical SMILES for 3-methyl-2-(1,6,7-trimethylindol-3-yl)butan-1-amine is Cc1ccc2c(C(CN)C(C)C)cn(C)c2c1C.
What is the InChIKey of 3-methyl-2-(1,6,7-trimethylindol-3-yl)butan-1-amine?
The InChIKey is DUMKZHSDGDMPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-10(2)14(8-17)15-9-18(5)16-12(4)11(3)6-7-13(15)16/h6-7,9-10,14H,8,17H2,1-5H3.
What are the key properties of 3-methyl-2-(1,6,7-trimethylindol-3-yl)butan-1-amine?
3-methyl-2-(1,6,7-trimethylindol-3-yl)butan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(1,6,7-trimethylindol-3-yl)butan-1-amine is sourced from PubChem (CID 82497738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).