1-(7-methyl-1H-indol-2-yl)butan-2-amine

C13H18N2 — CID 131625408

IUPAC1-(7-methyl-1H-indol-2-yl)butan-2-amine
SMILESCCC(N)Cc1cc2cccc(C)c2[nH]1
InChIInChI=1S/C13H18N2/c1-3-11(14)8-12-7-10-6-4-5-9(2)13(10)15-12/h4-7,11,15H,3,8,14H2,1-2H3
InChIKeyXGXLNRXATAAYDC-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.76
Rot. Bonds3

About 1-(7-methyl-1H-indol-2-yl)butan-2-amine

1-(7-methyl-1H-indol-2-yl)butan-2-amine (PubChem CID 131625408) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-(7-methyl-1H-indol-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(7-methyl-1H-indol-2-yl)butan-2-amine
PubChem CID131625408
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name1-(7-methyl-1H-indol-2-yl)butan-2-amine
SMILESCCC(N)Cc1cc2cccc(C)c2[nH]1
InChIInChI=1S/C13H18N2/c1-3-11(14)8-12-7-10-6-4-5-9(2)13(10)15-12/h4-7,11,15H,3,8,14H2,1-2H3
InChIKeyXGXLNRXATAAYDC-UHFFFAOYSA-N
XLogP2.76
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1H-indol-2-yl)butan-2-amine
CID 54026892
1-(2,7-dimethyl-1H-indol-3-yl)butan-2-amine
CID 130005740
2-(2-methylpropyl)-1H-indol-7-ol
CID 126584152
1-(1,7-dimethylindol-2-yl)butan-2-amine;hydrochloride
CID 170890669
1-(5-fluoro-1H-indol-2-yl)butan-2-amine
CID 131338781
3-ethyl-8-methyl-1H-quinolin-2-one
CID 143939354
2-[2-(methylamino)propyl]-1H-indol-7-ol
CID 117197123
ethyl 7-methyl-1H-indole-2-carboxylate
CID 1235155
2-(aminomethyl)-1H-indol-7-ol
CID 82596264
(2S)-1-naphthalen-1-ylbutan-2-amine
CID 178163209
trimethyl-(7-methyl-1H-indol-2-yl)silane
CID 15121722
N-methyl-1-(7-methyl-1H-indol-2-yl)ethanamine
CID 65333714

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-1H-indol-2-yl)butan-2-amine?
The IUPAC name of 1-(7-methyl-1H-indol-2-yl)butan-2-amine (CID 131625408) is 1-(7-methyl-1H-indol-2-yl)butan-2-amine.
What is the SMILES notation for 1-(7-methyl-1H-indol-2-yl)butan-2-amine?
The canonical SMILES for 1-(7-methyl-1H-indol-2-yl)butan-2-amine is CCC(N)Cc1cc2cccc(C)c2[nH]1.
What is the InChIKey of 1-(7-methyl-1H-indol-2-yl)butan-2-amine?
The InChIKey is XGXLNRXATAAYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-3-11(14)8-12-7-10-6-4-5-9(2)13(10)15-12/h4-7,11,15H,3,8,14H2,1-2H3.
What are the key properties of 1-(7-methyl-1H-indol-2-yl)butan-2-amine?
1-(7-methyl-1H-indol-2-yl)butan-2-amine has a molecular weight of 202.30 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-1H-indol-2-yl)butan-2-amine is sourced from PubChem (CID 131625408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).