1-(2,2,4-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)propan-2-ol

C15H29NO — CID 20543055

IUPAC1-(2,2,4-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)propan-2-ol
SMILESCC(O)CN1C2CCCCC2C(C)CC1(C)C
InChIInChI=1S/C15H29NO/c1-11-9-15(3,4)16(10-12(2)17)14-8-6-5-7-13(11)14/h11-14,17H,5-10H2,1-4H3
InChIKeyLXVFMHGMMNVQDV-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.05
Rot. Bonds2

About 1-(2,2,4-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)propan-2-ol

1-(2,2,4-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)propan-2-ol (PubChem CID 20543055) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-(2,2,4-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2,2,4-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)propan-2-ol
PubChem CID20543055
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-(2,2,4-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)propan-2-ol
SMILESCC(O)CN1C2CCCCC2C(C)CC1(C)C
InChIInChI=1S/C15H29NO/c1-11-9-15(3,4)16(10-12(2)17)14-8-6-5-7-13(11)14/h11-14,17H,5-10H2,1-4H3
InChIKeyLXVFMHGMMNVQDV-UHFFFAOYSA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,4-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)propan-2-ol?
The IUPAC name of 1-(2,2,4-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)propan-2-ol (CID 20543055) is 1-(2,2,4-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(2,2,4-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)propan-2-ol?
The canonical SMILES for 1-(2,2,4-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)propan-2-ol is CC(O)CN1C2CCCCC2C(C)CC1(C)C.
What is the InChIKey of 1-(2,2,4-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)propan-2-ol?
The InChIKey is LXVFMHGMMNVQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-11-9-15(3,4)16(10-12(2)17)14-8-6-5-7-13(11)14/h11-14,17H,5-10H2,1-4H3.
What are the key properties of 1-(2,2,4-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)propan-2-ol?
1-(2,2,4-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)propan-2-ol has a molecular weight of 239.40 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,4-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)propan-2-ol is sourced from PubChem (CID 20543055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).