(2R)-1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-2-ol

C12H23NO — CID 103934975

IUPAC(2R)-1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-2-ol
SMILESC[C@@H](O)CN1CCCC2CCCCC21
InChIInChI=1S/C12H23NO/c1-10(14)9-13-8-4-6-11-5-2-3-7-12(11)13/h10-12,14H,2-9H2,1H3/t10-,11?,12?/m1/s1
InChIKeyBOBRHCBSFMXXSJ-VOMCLLRMSA-N
MW197.32 g/mol
LogP2.02
Rot. Bonds2

About (2R)-1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-2-ol

(2R)-1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-2-ol (PubChem CID 103934975) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (2R)-1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-2-ol
PubChem CID103934975
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(2R)-1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-2-ol
SMILESC[C@@H](O)CN1CCCC2CCCCC21
InChIInChI=1S/C12H23NO/c1-10(14)9-13-8-4-6-11-5-2-3-7-12(11)13/h10-12,14H,2-9H2,1H3/t10-,11?,12?/m1/s1
InChIKeyBOBRHCBSFMXXSJ-VOMCLLRMSA-N
XLogP2.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-2-ol (CID 103934975) is (2R)-1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-2-ol is C[C@@H](O)CN1CCCC2CCCCC21.
What is the InChIKey of (2R)-1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-2-ol?
The InChIKey is BOBRHCBSFMXXSJ-VOMCLLRMSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(14)9-13-8-4-6-11-5-2-3-7-12(11)13/h10-12,14H,2-9H2,1H3/t10-,11?,12?/m1/s1.
What are the key properties of (2R)-1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-2-ol?
(2R)-1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-2-ol has a molecular weight of 197.32 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-2-ol is sourced from PubChem (CID 103934975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).