1-[1-(2-methylpentyl)indol-7-yl]propan-2-amine

C17H26N2 — CID 102917302

IUPAC1-[1-(2-methylpentyl)indol-7-yl]propan-2-amine
SMILESCCCC(C)Cn1ccc2cccc(CC(C)N)c21
InChIInChI=1S/C17H26N2/c1-4-6-13(2)12-19-10-9-15-7-5-8-16(17(15)19)11-14(3)18/h5,7-10,13-14H,4,6,11-12,18H2,1-3H3
InChIKeyGKTNXJGHKRDCAP-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.97
Rot. Bonds6

About 1-[1-(2-methylpentyl)indol-7-yl]propan-2-amine

1-[1-(2-methylpentyl)indol-7-yl]propan-2-amine (PubChem CID 102917302) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-[1-(2-methylpentyl)indol-7-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-(2-methylpentyl)indol-7-yl]propan-2-amine
PubChem CID102917302
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-[1-(2-methylpentyl)indol-7-yl]propan-2-amine
SMILESCCCC(C)Cn1ccc2cccc(CC(C)N)c21
InChIInChI=1S/C17H26N2/c1-4-6-13(2)12-19-10-9-15-7-5-8-16(17(15)19)11-14(3)18/h5,7-10,13-14H,4,6,11-12,18H2,1-3H3
InChIKeyGKTNXJGHKRDCAP-UHFFFAOYSA-N
XLogP3.97
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-ethylbutyl)indol-7-yl]butan-2-amine
CID 102917351
1-[1-[2-(2-methylpropoxy)ethyl]indol-7-yl]propan-2-amine
CID 106457568
1-[1-[(5-methyl-3-pyridinyl)methyl]indol-7-yl]propan-2-amine
CID 102917234
1-[1-(4-methylpentyl)indol-7-yl]butan-2-amine
CID 102917352
1-(2,2-difluoroethyl)-7-ethylindole
CID 116618758
2-[7-(aminomethyl)indol-1-yl]-N-pentan-2-ylacetamide
CID 102913404
(2S)-1-(7-methoxyindol-1-yl)propan-2-amine
CID 173286009
1-[7-(propylaminomethyl)indol-1-yl]propan-2-ol
CID 102914360
3-(1-ethylindol-7-yl)-2-methylpropanoic acid
CID 115106604
1-[1-(2-methylpropyl)indol-7-yl]ethanamine
CID 115106521
1-benzyl-7-(2-methylpropyl)indole
CID 59836563
4-[7-(2-aminobutyl)indol-1-yl]butanenitrile
CID 102917322

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpentyl)indol-7-yl]propan-2-amine?
The IUPAC name of 1-[1-(2-methylpentyl)indol-7-yl]propan-2-amine (CID 102917302) is 1-[1-(2-methylpentyl)indol-7-yl]propan-2-amine.
What is the SMILES notation for 1-[1-(2-methylpentyl)indol-7-yl]propan-2-amine?
The canonical SMILES for 1-[1-(2-methylpentyl)indol-7-yl]propan-2-amine is CCCC(C)Cn1ccc2cccc(CC(C)N)c21.
What is the InChIKey of 1-[1-(2-methylpentyl)indol-7-yl]propan-2-amine?
The InChIKey is GKTNXJGHKRDCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-4-6-13(2)12-19-10-9-15-7-5-8-16(17(15)19)11-14(3)18/h5,7-10,13-14H,4,6,11-12,18H2,1-3H3.
What are the key properties of 1-[1-(2-methylpentyl)indol-7-yl]propan-2-amine?
1-[1-(2-methylpentyl)indol-7-yl]propan-2-amine has a molecular weight of 258.41 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpentyl)indol-7-yl]propan-2-amine is sourced from PubChem (CID 102917302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).