[4-(methylamino)-6-propan-2-yloxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-yl]methanol

C14H28N2O2 — CID 163846252

IUPAC[4-(methylamino)-6-propan-2-yloxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-yl]methanol
SMILESCNC1C(CO)CNC2CCC(OC(C)C)CC21
InChIInChI=1S/C14H28N2O2/c1-9(2)18-11-4-5-13-12(6-11)14(15-3)10(8-17)7-16-13/h9-17H,4-8H2,1-3H3
InChIKeyOQKNDZVMNDOZJE-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.75
Rot. Bonds4

About [4-(methylamino)-6-propan-2-yloxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-yl]methanol

[4-(methylamino)-6-propan-2-yloxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-yl]methanol (PubChem CID 163846252) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is [4-(methylamino)-6-propan-2-yloxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-yl]methanol.

Molecular Properties

Compound Name[4-(methylamino)-6-propan-2-yloxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-yl]methanol
PubChem CID163846252
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name[4-(methylamino)-6-propan-2-yloxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-yl]methanol
SMILESCNC1C(CO)CNC2CCC(OC(C)C)CC21
InChIInChI=1S/C14H28N2O2/c1-9(2)18-11-4-5-13-12(6-11)14(15-3)10(8-17)7-16-13/h9-17H,4-8H2,1-3H3
InChIKeyOQKNDZVMNDOZJE-UHFFFAOYSA-N
XLogP0.75
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [4-(methylamino)-6-propan-2-yloxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-yl]methanol with MolForge

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Related Compounds

ethyl 4-(2-hydroxypropylamino)-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylate
CID 163116780
methyl 2-amino-3-(5-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)propanoate
CID 170906239
(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl)methanol
CID 83915124
trans-(1S,3S)-1-ethyl-3-propan-2-yloxycyclohexane
CID 177191810
1-propan-2-yl-4-propan-2-yloxycyclohexane
CID 18386923
2-propan-2-yl-4-propan-2-yloxypyrrolidine
CID 102568611
[2-(2-methylpropyl)azetidin-3-yl]methanol
CID 105428528
4-butan-2-ylcyclohexan-1-ol;1-butan-2-yl-4-propan-2-yloxycyclohexane
CID 54535850
3-propan-2-yloxypiperidine;hydrochloride
CID 53409755
1-(2-methylpropyl)-3-propan-2-yloxycyclobutane
CID 153444524
4-amino-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylic acid
CID 163133417
[(2S)-2-(hydroxymethyl)cyclopropyl]methanol
CID 67842260

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)-6-propan-2-yloxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-yl]methanol?
The IUPAC name of [4-(methylamino)-6-propan-2-yloxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-yl]methanol (CID 163846252) is [4-(methylamino)-6-propan-2-yloxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-yl]methanol.
What is the SMILES notation for [4-(methylamino)-6-propan-2-yloxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-yl]methanol?
The canonical SMILES for [4-(methylamino)-6-propan-2-yloxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-yl]methanol is CNC1C(CO)CNC2CCC(OC(C)C)CC21.
What is the InChIKey of [4-(methylamino)-6-propan-2-yloxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-yl]methanol?
The InChIKey is OQKNDZVMNDOZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-9(2)18-11-4-5-13-12(6-11)14(15-3)10(8-17)7-16-13/h9-17H,4-8H2,1-3H3.
What are the key properties of [4-(methylamino)-6-propan-2-yloxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-yl]methanol?
[4-(methylamino)-6-propan-2-yloxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-yl]methanol has a molecular weight of 256.39 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)-6-propan-2-yloxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-yl]methanol is sourced from PubChem (CID 163846252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).