3-cyclopropyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-ol

C18H25NO — CID 65042244

IUPAC3-cyclopropyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-ol
SMILESOC1(C2CCc3ccccc3N2)CCCC(C2CC2)C1
InChIInChI=1S/C18H25NO/c20-18(11-3-5-15(12-18)13-7-8-13)17-10-9-14-4-1-2-6-16(14)19-17/h1-2,4,6,13,15,17,19-20H,3,5,7-12H2
InChIKeyZSUGYEPAAPBOFL-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.74
Rot. Bonds2

About 3-cyclopropyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-ol

3-cyclopropyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-ol (PubChem CID 65042244) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 3-cyclopropyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-cyclopropyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-ol
PubChem CID65042244
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name3-cyclopropyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-ol
SMILESOC1(C2CCc3ccccc3N2)CCCC(C2CC2)C1
InChIInChI=1S/C18H25NO/c20-18(11-3-5-15(12-18)13-7-8-13)17-10-9-14-4-1-2-6-16(14)19-17/h1-2,4,6,13,15,17,19-20H,3,5,7-12H2
InChIKeyZSUGYEPAAPBOFL-UHFFFAOYSA-N
XLogP3.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-ol?
The IUPAC name of 3-cyclopropyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-ol (CID 65042244) is 3-cyclopropyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 3-cyclopropyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-ol?
The canonical SMILES for 3-cyclopropyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-ol is OC1(C2CCc3ccccc3N2)CCCC(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-ol?
The InChIKey is ZSUGYEPAAPBOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c20-18(11-3-5-15(12-18)13-7-8-13)17-10-9-14-4-1-2-6-16(14)19-17/h1-2,4,6,13,15,17,19-20H,3,5,7-12H2.
What are the key properties of 3-cyclopropyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-ol?
3-cyclopropyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-ol has a molecular weight of 271.40 g/mol, XLogP of 3.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 65042244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).