3-amino-1-(2,3-dihydro-1H-indol-2-yl)cyclohexan-1-ol

C14H20N2O — CID 80561154

IUPAC3-amino-1-(2,3-dihydro-1H-indol-2-yl)cyclohexan-1-ol
SMILESNC1CCCC(O)(C2Cc3ccccc3N2)C1
InChIInChI=1S/C14H20N2O/c15-11-5-3-7-14(17,9-11)13-8-10-4-1-2-6-12(10)16-13/h1-2,4,6,11,13,16-17H,3,5,7-9,15H2
InChIKeyVHGDEAANLVWHGD-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.66
Rot. Bonds1

About 3-amino-1-(2,3-dihydro-1H-indol-2-yl)cyclohexan-1-ol

3-amino-1-(2,3-dihydro-1H-indol-2-yl)cyclohexan-1-ol (PubChem CID 80561154) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-amino-1-(2,3-dihydro-1H-indol-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2,3-dihydro-1H-indol-2-yl)cyclohexan-1-ol
PubChem CID80561154
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-amino-1-(2,3-dihydro-1H-indol-2-yl)cyclohexan-1-ol
SMILESNC1CCCC(O)(C2Cc3ccccc3N2)C1
InChIInChI=1S/C14H20N2O/c15-11-5-3-7-14(17,9-11)13-8-10-4-1-2-6-12(10)16-13/h1-2,4,6,11,13,16-17H,3,5,7-9,15H2
InChIKeyVHGDEAANLVWHGD-UHFFFAOYSA-N
XLogP1.66
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,3-dihydro-1H-indol-2-yl)cyclohexan-1-ol?
The IUPAC name of 3-amino-1-(2,3-dihydro-1H-indol-2-yl)cyclohexan-1-ol (CID 80561154) is 3-amino-1-(2,3-dihydro-1H-indol-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 3-amino-1-(2,3-dihydro-1H-indol-2-yl)cyclohexan-1-ol?
The canonical SMILES for 3-amino-1-(2,3-dihydro-1H-indol-2-yl)cyclohexan-1-ol is NC1CCCC(O)(C2Cc3ccccc3N2)C1.
What is the InChIKey of 3-amino-1-(2,3-dihydro-1H-indol-2-yl)cyclohexan-1-ol?
The InChIKey is VHGDEAANLVWHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c15-11-5-3-7-14(17,9-11)13-8-10-4-1-2-6-12(10)16-13/h1-2,4,6,11,13,16-17H,3,5,7-9,15H2.
What are the key properties of 3-amino-1-(2,3-dihydro-1H-indol-2-yl)cyclohexan-1-ol?
3-amino-1-(2,3-dihydro-1H-indol-2-yl)cyclohexan-1-ol has a molecular weight of 232.33 g/mol, XLogP of 1.66, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,3-dihydro-1H-indol-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 80561154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).