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

C16H24N2 — CID 82497735

IUPAC3-methyl-2-(1,2,7-trimethylindol-3-yl)butan-1-amine
SMILESCc1cccc2c(C(CN)C(C)C)c(C)n(C)c12
InChIInChI=1S/C16H24N2/c1-10(2)14(9-17)15-12(4)18(5)16-11(3)7-6-8-13(15)16/h6-8,10,14H,9,17H2,1-5H3
InChIKeyRKVDDBAHFPMNQM-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.49
Rot. Bonds3

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

3-methyl-2-(1,2,7-trimethylindol-3-yl)butan-1-amine (PubChem CID 82497735) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-methyl-2-(1,2,7-trimethylindol-3-yl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-(1,2,7-trimethylindol-3-yl)butan-1-amine
PubChem CID82497735
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name3-methyl-2-(1,2,7-trimethylindol-3-yl)butan-1-amine
SMILESCc1cccc2c(C(CN)C(C)C)c(C)n(C)c12
InChIInChI=1S/C16H24N2/c1-10(2)14(9-17)15-12(4)18(5)16-11(3)7-6-8-13(15)16/h6-8,10,14H,9,17H2,1-5H3
InChIKeyRKVDDBAHFPMNQM-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-(1,2,5,7-tetramethylindol-3-yl)butan-1-amine
CID 82500229
2-(7-chloro-1,2-dimethylindol-3-yl)propan-1-amine
CID 82496910
2-(7-ethyl-1,2-dimethylindol-3-yl)propan-1-amine
CID 82495320
2-amino-1-(7-fluoro-1,2-dimethylindol-3-yl)ethanol
CID 82494429
1-(7-ethyl-1,2-dimethylindol-3-yl)-N,N-dimethylethane-1,2-diamine
CID 82500433
3-methyl-2-(7-methyl-2H-indazol-3-yl)butan-1-amine
CID 83910115
3-methyl-2-(2-methyl-1-benzofuran-3-yl)butan-1-amine
CID 116987428
2-(2-bromo-3-methylphenyl)-3-methylbutan-1-amine
CID 83730937
2-(2,3,7-trimethylindol-1-yl)ethanamine
CID 82491683
3-(3-aminopropyl)-1,8-dimethylquinazoline-2,4-dione
CID 117263358
6-(1,2,7-trimethylindol-3-yl)pyridin-3-amine
CID 115110486
2-(7-ethyl-1-methylindol-3-yl)-3-methylbutan-1-amine
CID 82497776

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(1,2,7-trimethylindol-3-yl)butan-1-amine?
The IUPAC name of 3-methyl-2-(1,2,7-trimethylindol-3-yl)butan-1-amine (CID 82497735) is 3-methyl-2-(1,2,7-trimethylindol-3-yl)butan-1-amine.
What is the SMILES notation for 3-methyl-2-(1,2,7-trimethylindol-3-yl)butan-1-amine?
The canonical SMILES for 3-methyl-2-(1,2,7-trimethylindol-3-yl)butan-1-amine is Cc1cccc2c(C(CN)C(C)C)c(C)n(C)c12.
What is the InChIKey of 3-methyl-2-(1,2,7-trimethylindol-3-yl)butan-1-amine?
The InChIKey is RKVDDBAHFPMNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-10(2)14(9-17)15-12(4)18(5)16-11(3)7-6-8-13(15)16/h6-8,10,14H,9,17H2,1-5H3.
What are the key properties of 3-methyl-2-(1,2,7-trimethylindol-3-yl)butan-1-amine?
3-methyl-2-(1,2,7-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-(1,2,7-trimethylindol-3-yl)butan-1-amine is sourced from PubChem (CID 82497735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).