(1R,6R)-3-naphthalen-2-yl-6-(propan-2-ylamino)cyclohex-2-en-1-ol

C19H23NO — CID 13147188

IUPAC(1R,6R)-3-naphthalen-2-yl-6-(propan-2-ylamino)cyclohex-2-en-1-ol
SMILESCC(C)N[C@@H]1CCC(c2ccc3ccccc3c2)=C[C@H]1O
InChIInChI=1S/C19H23NO/c1-13(2)20-18-10-9-17(12-19(18)21)16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11-13,18-21H,9-10H2,1-2H3/t18-,19-/m1/s1
InChIKeyUVNCMKWZIXFTHS-RTBURBONSA-N
MW281.40 g/mol
LogP3.74
Rot. Bonds3

About (1R,6R)-3-naphthalen-2-yl-6-(propan-2-ylamino)cyclohex-2-en-1-ol

(1R,6R)-3-naphthalen-2-yl-6-(propan-2-ylamino)cyclohex-2-en-1-ol (PubChem CID 13147188) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (1R,6R)-3-naphthalen-2-yl-6-(propan-2-ylamino)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R,6R)-3-naphthalen-2-yl-6-(propan-2-ylamino)cyclohex-2-en-1-ol
PubChem CID13147188
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(1R,6R)-3-naphthalen-2-yl-6-(propan-2-ylamino)cyclohex-2-en-1-ol
SMILESCC(C)N[C@@H]1CCC(c2ccc3ccccc3c2)=C[C@H]1O
InChIInChI=1S/C19H23NO/c1-13(2)20-18-10-9-17(12-19(18)21)16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11-13,18-21H,9-10H2,1-2H3/t18-,19-/m1/s1
InChIKeyUVNCMKWZIXFTHS-RTBURBONSA-N
XLogP3.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,6R)-3-naphthalen-2-yl-6-(propan-2-ylamino)cyclohex-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-3-naphthalen-2-yl-6-(propan-2-ylamino)cyclohex-2-en-1-ol?
The IUPAC name of (1R,6R)-3-naphthalen-2-yl-6-(propan-2-ylamino)cyclohex-2-en-1-ol (CID 13147188) is (1R,6R)-3-naphthalen-2-yl-6-(propan-2-ylamino)cyclohex-2-en-1-ol.
What is the SMILES notation for (1R,6R)-3-naphthalen-2-yl-6-(propan-2-ylamino)cyclohex-2-en-1-ol?
The canonical SMILES for (1R,6R)-3-naphthalen-2-yl-6-(propan-2-ylamino)cyclohex-2-en-1-ol is CC(C)N[C@@H]1CCC(c2ccc3ccccc3c2)=C[C@H]1O.
What is the InChIKey of (1R,6R)-3-naphthalen-2-yl-6-(propan-2-ylamino)cyclohex-2-en-1-ol?
The InChIKey is UVNCMKWZIXFTHS-RTBURBONSA-N. The full InChI is InChI=1S/C19H23NO/c1-13(2)20-18-10-9-17(12-19(18)21)16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11-13,18-21H,9-10H2,1-2H3/t18-,19-/m1/s1.
What are the key properties of (1R,6R)-3-naphthalen-2-yl-6-(propan-2-ylamino)cyclohex-2-en-1-ol?
(1R,6R)-3-naphthalen-2-yl-6-(propan-2-ylamino)cyclohex-2-en-1-ol has a molecular weight of 281.40 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-3-naphthalen-2-yl-6-(propan-2-ylamino)cyclohex-2-en-1-ol is sourced from PubChem (CID 13147188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).