3-(2,3-dihydro-1H-indol-7-ylmethylamino)cyclohexan-1-ol

C15H22N2O — CID 80648400

IUPAC3-(2,3-dihydro-1H-indol-7-ylmethylamino)cyclohexan-1-ol
SMILESOC1CCCC(NCc2cccc3c2NCC3)C1
InChIInChI=1S/C15H22N2O/c18-14-6-2-5-13(9-14)17-10-12-4-1-3-11-7-8-16-15(11)12/h1,3-4,13-14,16-18H,2,5-10H2
InChIKeyRZGHHEHTILHTBP-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.05
Rot. Bonds3

About 3-(2,3-dihydro-1H-indol-7-ylmethylamino)cyclohexan-1-ol

3-(2,3-dihydro-1H-indol-7-ylmethylamino)cyclohexan-1-ol (PubChem CID 80648400) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-indol-7-ylmethylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-indol-7-ylmethylamino)cyclohexan-1-ol
PubChem CID80648400
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-(2,3-dihydro-1H-indol-7-ylmethylamino)cyclohexan-1-ol
SMILESOC1CCCC(NCc2cccc3c2NCC3)C1
InChIInChI=1S/C15H22N2O/c18-14-6-2-5-13(9-14)17-10-12-4-1-3-11-7-8-16-15(11)12/h1,3-4,13-14,16-18H,2,5-10H2
InChIKeyRZGHHEHTILHTBP-UHFFFAOYSA-N
XLogP2.05
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-indol-7-ylmethylamino)cyclohexan-1-ol?
The IUPAC name of 3-(2,3-dihydro-1H-indol-7-ylmethylamino)cyclohexan-1-ol (CID 80648400) is 3-(2,3-dihydro-1H-indol-7-ylmethylamino)cyclohexan-1-ol.
What is the SMILES notation for 3-(2,3-dihydro-1H-indol-7-ylmethylamino)cyclohexan-1-ol?
The canonical SMILES for 3-(2,3-dihydro-1H-indol-7-ylmethylamino)cyclohexan-1-ol is OC1CCCC(NCc2cccc3c2NCC3)C1.
What is the InChIKey of 3-(2,3-dihydro-1H-indol-7-ylmethylamino)cyclohexan-1-ol?
The InChIKey is RZGHHEHTILHTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c18-14-6-2-5-13(9-14)17-10-12-4-1-3-11-7-8-16-15(11)12/h1,3-4,13-14,16-18H,2,5-10H2.
What are the key properties of 3-(2,3-dihydro-1H-indol-7-ylmethylamino)cyclohexan-1-ol?
3-(2,3-dihydro-1H-indol-7-ylmethylamino)cyclohexan-1-ol has a molecular weight of 246.35 g/mol, XLogP of 2.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-indol-7-ylmethylamino)cyclohexan-1-ol is sourced from PubChem (CID 80648400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).