3-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)butan-1-amine

C13H22N2 — CID 84779253

IUPAC3-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)butan-1-amine
SMILESCc1[nH]c2c(c1C(C)CCN)CCCC2
InChIInChI=1S/C13H22N2/c1-9(7-8-14)13-10(2)15-12-6-4-3-5-11(12)13/h9,15H,3-8,14H2,1-2H3
InChIKeyXKJPTNMNQIDSQC-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.65
Rot. Bonds3

About 3-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)butan-1-amine

3-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)butan-1-amine (PubChem CID 84779253) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)butan-1-amine.

Molecular Properties

Compound Name3-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)butan-1-amine
PubChem CID84779253
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name3-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)butan-1-amine
SMILESCc1[nH]c2c(c1C(C)CCN)CCCC2
InChIInChI=1S/C13H22N2/c1-9(7-8-14)13-10(2)15-12-6-4-3-5-11(12)13/h9,15H,3-8,14H2,1-2H3
InChIKeyXKJPTNMNQIDSQC-UHFFFAOYSA-N
XLogP2.65
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methyl-1H-indole-3-ethylamine
CID 75949
9-Methyl-2,3,4,5,6,7,8,9-octahydro-1H-carbazole
CID 31970
N-((4-((dimethylamino)methyl)-2,5-dimethyl-1H-pyrrol-3-yl)methyl)-N,N-dimethylamine
CID 229022
2,3,4,5-Tetramethylpyrrole
CID 70484
3,3',4,4',5,5'-Hexamethyl-2,2'-dipyrrolylmethene
CID 15857952
2-(2,7-Dimethyl-1H-indol-3-yl)ethanamine
CID 594142
3-Methyl-4,5,6,7-tetrahydro-1H-indole
CID 15778451
2-(2-butan-2-yl-1H-indol-3-yl)-N-methylethanamine
CID 56594251
1H-Pyrrole, 3-ethyl-2,4,5-trimethyl-
CID 10628
Cyclohept(b)indole-1-ethylamine, 1,2,3,4,5,10-hexahydro-10-ethyl-N,N,1-trimethyl-, hydrochloride
CID 42918
N-methyl-2-(2-propyl-1H-indol-3-yl)ethanamine
CID 56594253
N-methyl-2-(2-propan-2-yl-1H-indol-3-yl)ethanamine
CID 56594257

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)butan-1-amine?
The IUPAC name of 3-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)butan-1-amine (CID 84779253) is 3-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)butan-1-amine.
What is the SMILES notation for 3-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)butan-1-amine?
The canonical SMILES for 3-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)butan-1-amine is Cc1[nH]c2c(c1C(C)CCN)CCCC2.
What is the InChIKey of 3-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)butan-1-amine?
The InChIKey is XKJPTNMNQIDSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-9(7-8-14)13-10(2)15-12-6-4-3-5-11(12)13/h9,15H,3-8,14H2,1-2H3.
What are the key properties of 3-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)butan-1-amine?
3-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)butan-1-amine has a molecular weight of 206.33 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)butan-1-amine is sourced from PubChem (CID 84779253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).