1-(3-cyclopentylpropyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine

C17H28N2 — CID 106008312

IUPAC1-(3-cyclopentylpropyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine
SMILESCc1cc2c(n1CCCC1CCCC1)CCCC2N
InChIInChI=1S/C17H28N2/c1-13-12-15-16(18)9-4-10-17(15)19(13)11-5-8-14-6-2-3-7-14/h12,14,16H,2-11,18H2,1H3
InChIKeyWTWQEAQGFHFILJ-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.10
Rot. Bonds4

About 1-(3-cyclopentylpropyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine

1-(3-cyclopentylpropyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine (PubChem CID 106008312) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-(3-cyclopentylpropyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine.

Molecular Properties

Compound Name1-(3-cyclopentylpropyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine
PubChem CID106008312
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name1-(3-cyclopentylpropyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine
SMILESCc1cc2c(n1CCCC1CCCC1)CCCC2N
InChIInChI=1S/C17H28N2/c1-13-12-15-16(18)9-4-10-17(15)19(13)11-5-8-14-6-2-3-7-14/h12,14,16H,2-11,18H2,1H3
InChIKeyWTWQEAQGFHFILJ-UHFFFAOYSA-N
XLogP4.10
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentylpropyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine?
The IUPAC name of 1-(3-cyclopentylpropyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine (CID 106008312) is 1-(3-cyclopentylpropyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine.
What is the SMILES notation for 1-(3-cyclopentylpropyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine?
The canonical SMILES for 1-(3-cyclopentylpropyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine is Cc1cc2c(n1CCCC1CCCC1)CCCC2N.
What is the InChIKey of 1-(3-cyclopentylpropyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine?
The InChIKey is WTWQEAQGFHFILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13-12-15-16(18)9-4-10-17(15)19(13)11-5-8-14-6-2-3-7-14/h12,14,16H,2-11,18H2,1H3.
What are the key properties of 1-(3-cyclopentylpropyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine?
1-(3-cyclopentylpropyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine has a molecular weight of 260.42 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentylpropyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine is sourced from PubChem (CID 106008312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).