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

C14H24N2O — CID 141119690

IUPAC(7-amino-1-tert-butyl-3,4,4a,5-tetrahydro-2H-quinolin-3-yl)methanol
SMILESCC(C)(C)N1CC(CO)CC2CC=C(N)C=C21
InChIInChI=1S/C14H24N2O/c1-14(2,3)16-8-10(9-17)6-11-4-5-12(15)7-13(11)16/h5,7,10-11,17H,4,6,8-9,15H2,1-3H3
InChIKeyXNYSRSIGTSKCHP-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.85
Rot. Bonds1

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

(7-amino-1-tert-butyl-3,4,4a,5-tetrahydro-2H-quinolin-3-yl)methanol (PubChem CID 141119690) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is (7-amino-1-tert-butyl-3,4,4a,5-tetrahydro-2H-quinolin-3-yl)methanol.

Molecular Properties

Compound Name(7-amino-1-tert-butyl-3,4,4a,5-tetrahydro-2H-quinolin-3-yl)methanol
PubChem CID141119690
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name(7-amino-1-tert-butyl-3,4,4a,5-tetrahydro-2H-quinolin-3-yl)methanol
SMILESCC(C)(C)N1CC(CO)CC2CC=C(N)C=C21
InChIInChI=1S/C14H24N2O/c1-14(2,3)16-8-10(9-17)6-11-4-5-12(15)7-13(11)16/h5,7,10-11,17H,4,6,8-9,15H2,1-3H3
InChIKeyXNYSRSIGTSKCHP-UHFFFAOYSA-N
XLogP1.85
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7-amino-1-tert-butyl-3,4,4a,5-tetrahydro-2H-quinolin-3-yl)methanol?
The IUPAC name of (7-amino-1-tert-butyl-3,4,4a,5-tetrahydro-2H-quinolin-3-yl)methanol (CID 141119690) is (7-amino-1-tert-butyl-3,4,4a,5-tetrahydro-2H-quinolin-3-yl)methanol.
What is the SMILES notation for (7-amino-1-tert-butyl-3,4,4a,5-tetrahydro-2H-quinolin-3-yl)methanol?
The canonical SMILES for (7-amino-1-tert-butyl-3,4,4a,5-tetrahydro-2H-quinolin-3-yl)methanol is CC(C)(C)N1CC(CO)CC2CC=C(N)C=C21.
What is the InChIKey of (7-amino-1-tert-butyl-3,4,4a,5-tetrahydro-2H-quinolin-3-yl)methanol?
The InChIKey is XNYSRSIGTSKCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-14(2,3)16-8-10(9-17)6-11-4-5-12(15)7-13(11)16/h5,7,10-11,17H,4,6,8-9,15H2,1-3H3.
What are the key properties of (7-amino-1-tert-butyl-3,4,4a,5-tetrahydro-2H-quinolin-3-yl)methanol?
(7-amino-1-tert-butyl-3,4,4a,5-tetrahydro-2H-quinolin-3-yl)methanol has a molecular weight of 236.36 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-1-tert-butyl-3,4,4a,5-tetrahydro-2H-quinolin-3-yl)methanol is sourced from PubChem (CID 141119690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).