3-methyl-3-(2,5,7-trimethyl-1H-indol-3-yl)butan-1-amine

C16H24N2 — CID 84631671

IUPAC3-methyl-3-(2,5,7-trimethyl-1H-indol-3-yl)butan-1-amine
SMILESCc1cc(C)c2[nH]c(C)c(C(C)(C)CCN)c2c1
InChIInChI=1S/C16H24N2/c1-10-8-11(2)15-13(9-10)14(12(3)18-15)16(4,5)6-7-17/h8-9,18H,6-7,17H2,1-5H3
InChIKeyWONXBVMVXKURND-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.72
Rot. Bonds3

About 3-methyl-3-(2,5,7-trimethyl-1H-indol-3-yl)butan-1-amine

3-methyl-3-(2,5,7-trimethyl-1H-indol-3-yl)butan-1-amine (PubChem CID 84631671) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-methyl-3-(2,5,7-trimethyl-1H-indol-3-yl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-3-(2,5,7-trimethyl-1H-indol-3-yl)butan-1-amine
PubChem CID84631671
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name3-methyl-3-(2,5,7-trimethyl-1H-indol-3-yl)butan-1-amine
SMILESCc1cc(C)c2[nH]c(C)c(C(C)(C)CCN)c2c1
InChIInChI=1S/C16H24N2/c1-10-8-11(2)15-13(9-10)14(12(3)18-15)16(4,5)6-7-17/h8-9,18H,6-7,17H2,1-5H3
InChIKeyWONXBVMVXKURND-UHFFFAOYSA-N
XLogP3.72
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-(6-fluoro-2-methyl-1H-indol-3-yl)-3-methylbutan-1-amine
CID 84627861
2-(3-bromo-5,7-dimethyl-1H-indol-2-yl)propan-2-amine
CID 84642841
N-[[3-(2-aminoethyl)-5,7-dimethyl-1H-indol-2-yl]methyl]-N-methylprop-2-yn-1-amine
CID 162094017
(5,7-dimethyl-3-propan-2-yl-1H-indol-2-yl)methanamine
CID 84622450
3-methyl-3-(2-methyl-1-benzofuran-3-yl)butan-1-amine
CID 116987358
N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 20780242
3-N,3-dimethyl-3-N-(2,4,6-trimethylphenyl)butane-1,3-diamine
CID 115134562
2-methoxy-N-[(2,5,7-trimethyl-1H-indol-3-yl)methyl]ethanamine
CID 65335149
4-[5,7-dimethyl-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 4603225
N-methyl-1-(3,5,7-trimethyl-1H-indol-2-yl)methanamine
CID 83859630
3-methyl-3-(2,4,5-trimethylphenyl)butan-1-amine
CID 80502709
3-methyl-3-(2,3,4,6-tetrachlorophenyl)butan-1-amine
CID 105350479

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2,5,7-trimethyl-1H-indol-3-yl)butan-1-amine?
The IUPAC name of 3-methyl-3-(2,5,7-trimethyl-1H-indol-3-yl)butan-1-amine (CID 84631671) is 3-methyl-3-(2,5,7-trimethyl-1H-indol-3-yl)butan-1-amine.
What is the SMILES notation for 3-methyl-3-(2,5,7-trimethyl-1H-indol-3-yl)butan-1-amine?
The canonical SMILES for 3-methyl-3-(2,5,7-trimethyl-1H-indol-3-yl)butan-1-amine is Cc1cc(C)c2[nH]c(C)c(C(C)(C)CCN)c2c1.
What is the InChIKey of 3-methyl-3-(2,5,7-trimethyl-1H-indol-3-yl)butan-1-amine?
The InChIKey is WONXBVMVXKURND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-10-8-11(2)15-13(9-10)14(12(3)18-15)16(4,5)6-7-17/h8-9,18H,6-7,17H2,1-5H3.
What are the key properties of 3-methyl-3-(2,5,7-trimethyl-1H-indol-3-yl)butan-1-amine?
3-methyl-3-(2,5,7-trimethyl-1H-indol-3-yl)butan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2,5,7-trimethyl-1H-indol-3-yl)butan-1-amine is sourced from PubChem (CID 84631671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).