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

C13H22N2O — CID 141119711

IUPAC(7-amino-1-propan-2-yl-3,4,4a,5-tetrahydro-2H-quinolin-3-yl)methanol
SMILESCC(C)N1CC(CO)CC2CC=C(N)C=C21
InChIInChI=1S/C13H22N2O/c1-9(2)15-7-10(8-16)5-11-3-4-12(14)6-13(11)15/h4,6,9-11,16H,3,5,7-8,14H2,1-2H3
InChIKeyXWSDICPMDWLWTC-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.46
Rot. Bonds2

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

(7-amino-1-propan-2-yl-3,4,4a,5-tetrahydro-2H-quinolin-3-yl)methanol (PubChem CID 141119711) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is (7-amino-1-propan-2-yl-3,4,4a,5-tetrahydro-2H-quinolin-3-yl)methanol.

Molecular Properties

Compound Name(7-amino-1-propan-2-yl-3,4,4a,5-tetrahydro-2H-quinolin-3-yl)methanol
PubChem CID141119711
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(7-amino-1-propan-2-yl-3,4,4a,5-tetrahydro-2H-quinolin-3-yl)methanol
SMILESCC(C)N1CC(CO)CC2CC=C(N)C=C21
InChIInChI=1S/C13H22N2O/c1-9(2)15-7-10(8-16)5-11-3-4-12(14)6-13(11)15/h4,6,9-11,16H,3,5,7-8,14H2,1-2H3
InChIKeyXWSDICPMDWLWTC-UHFFFAOYSA-N
XLogP1.46
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7-amino-1-propan-2-yl-3,4,4a,5-tetrahydro-2H-quinolin-3-yl)methanol?
The IUPAC name of (7-amino-1-propan-2-yl-3,4,4a,5-tetrahydro-2H-quinolin-3-yl)methanol (CID 141119711) is (7-amino-1-propan-2-yl-3,4,4a,5-tetrahydro-2H-quinolin-3-yl)methanol.
What is the SMILES notation for (7-amino-1-propan-2-yl-3,4,4a,5-tetrahydro-2H-quinolin-3-yl)methanol?
The canonical SMILES for (7-amino-1-propan-2-yl-3,4,4a,5-tetrahydro-2H-quinolin-3-yl)methanol is CC(C)N1CC(CO)CC2CC=C(N)C=C21.
What is the InChIKey of (7-amino-1-propan-2-yl-3,4,4a,5-tetrahydro-2H-quinolin-3-yl)methanol?
The InChIKey is XWSDICPMDWLWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9(2)15-7-10(8-16)5-11-3-4-12(14)6-13(11)15/h4,6,9-11,16H,3,5,7-8,14H2,1-2H3.
What are the key properties of (7-amino-1-propan-2-yl-3,4,4a,5-tetrahydro-2H-quinolin-3-yl)methanol?
(7-amino-1-propan-2-yl-3,4,4a,5-tetrahydro-2H-quinolin-3-yl)methanol has a molecular weight of 222.33 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-1-propan-2-yl-3,4,4a,5-tetrahydro-2H-quinolin-3-yl)methanol is sourced from PubChem (CID 141119711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).