[7-amino-1-(2-methylpropyl)-3,4,4a,5-tetrahydro-2H-quinolin-3-yl]methanol

C14H24N2O — CID 141119710

IUPAC[7-amino-1-(2-methylpropyl)-3,4,4a,5-tetrahydro-2H-quinolin-3-yl]methanol
SMILESCC(C)CN1CC(CO)CC2CC=C(N)C=C21
InChIInChI=1S/C14H24N2O/c1-10(2)7-16-8-11(9-17)5-12-3-4-13(15)6-14(12)16/h4,6,10-12,17H,3,5,7-9,15H2,1-2H3
InChIKeyYZXFXXTXYNVBLC-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.70
Rot. Bonds3

About [7-amino-1-(2-methylpropyl)-3,4,4a,5-tetrahydro-2H-quinolin-3-yl]methanol

[7-amino-1-(2-methylpropyl)-3,4,4a,5-tetrahydro-2H-quinolin-3-yl]methanol (PubChem CID 141119710) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is [7-amino-1-(2-methylpropyl)-3,4,4a,5-tetrahydro-2H-quinolin-3-yl]methanol.

Molecular Properties

Compound Name[7-amino-1-(2-methylpropyl)-3,4,4a,5-tetrahydro-2H-quinolin-3-yl]methanol
PubChem CID141119710
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name[7-amino-1-(2-methylpropyl)-3,4,4a,5-tetrahydro-2H-quinolin-3-yl]methanol
SMILESCC(C)CN1CC(CO)CC2CC=C(N)C=C21
InChIInChI=1S/C14H24N2O/c1-10(2)7-16-8-11(9-17)5-12-3-4-13(15)6-14(12)16/h4,6,10-12,17H,3,5,7-9,15H2,1-2H3
InChIKeyYZXFXXTXYNVBLC-UHFFFAOYSA-N
XLogP1.70
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [7-amino-1-(2-methylpropyl)-3,4,4a,5-tetrahydro-2H-quinolin-3-yl]methanol?
The IUPAC name of [7-amino-1-(2-methylpropyl)-3,4,4a,5-tetrahydro-2H-quinolin-3-yl]methanol (CID 141119710) is [7-amino-1-(2-methylpropyl)-3,4,4a,5-tetrahydro-2H-quinolin-3-yl]methanol.
What is the SMILES notation for [7-amino-1-(2-methylpropyl)-3,4,4a,5-tetrahydro-2H-quinolin-3-yl]methanol?
The canonical SMILES for [7-amino-1-(2-methylpropyl)-3,4,4a,5-tetrahydro-2H-quinolin-3-yl]methanol is CC(C)CN1CC(CO)CC2CC=C(N)C=C21.
What is the InChIKey of [7-amino-1-(2-methylpropyl)-3,4,4a,5-tetrahydro-2H-quinolin-3-yl]methanol?
The InChIKey is YZXFXXTXYNVBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10(2)7-16-8-11(9-17)5-12-3-4-13(15)6-14(12)16/h4,6,10-12,17H,3,5,7-9,15H2,1-2H3.
What are the key properties of [7-amino-1-(2-methylpropyl)-3,4,4a,5-tetrahydro-2H-quinolin-3-yl]methanol?
[7-amino-1-(2-methylpropyl)-3,4,4a,5-tetrahydro-2H-quinolin-3-yl]methanol has a molecular weight of 236.36 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-amino-1-(2-methylpropyl)-3,4,4a,5-tetrahydro-2H-quinolin-3-yl]methanol is sourced from PubChem (CID 141119710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).