N-(1-methoxy-2-methylpropan-2-yl)quinolin-2-amine

C14H18N2O — CID 113470456

IUPACN-(1-methoxy-2-methylpropan-2-yl)quinolin-2-amine
SMILESCOCC(C)(C)Nc1ccc2ccccc2n1
InChIInChI=1S/C14H18N2O/c1-14(2,10-17-3)16-13-9-8-11-6-4-5-7-12(11)15-13/h4-9H,10H2,1-3H3,(H,15,16)
InChIKeyLOTVFJOMNDSCCV-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.07
Rot. Bonds4

About N-(1-methoxy-2-methylpropan-2-yl)quinolin-2-amine

N-(1-methoxy-2-methylpropan-2-yl)quinolin-2-amine (PubChem CID 113470456) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(1-methoxy-2-methylpropan-2-yl)quinolin-2-amine.

Molecular Properties

Compound NameN-(1-methoxy-2-methylpropan-2-yl)quinolin-2-amine
PubChem CID113470456
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-(1-methoxy-2-methylpropan-2-yl)quinolin-2-amine
SMILESCOCC(C)(C)Nc1ccc2ccccc2n1
InChIInChI=1S/C14H18N2O/c1-14(2,10-17-3)16-13-9-8-11-6-4-5-7-12(11)15-13/h4-9H,10H2,1-3H3,(H,15,16)
InChIKeyLOTVFJOMNDSCCV-UHFFFAOYSA-N
XLogP3.07
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-methoxy-2-methylpropan-2-yl)quinolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)quinolin-2-amine?
The IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)quinolin-2-amine (CID 113470456) is N-(1-methoxy-2-methylpropan-2-yl)quinolin-2-amine.
What is the SMILES notation for N-(1-methoxy-2-methylpropan-2-yl)quinolin-2-amine?
The canonical SMILES for N-(1-methoxy-2-methylpropan-2-yl)quinolin-2-amine is COCC(C)(C)Nc1ccc2ccccc2n1.
What is the InChIKey of N-(1-methoxy-2-methylpropan-2-yl)quinolin-2-amine?
The InChIKey is LOTVFJOMNDSCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-14(2,10-17-3)16-13-9-8-11-6-4-5-7-12(11)15-13/h4-9H,10H2,1-3H3,(H,15,16).
What are the key properties of N-(1-methoxy-2-methylpropan-2-yl)quinolin-2-amine?
N-(1-methoxy-2-methylpropan-2-yl)quinolin-2-amine has a molecular weight of 230.31 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-2-methylpropan-2-yl)quinolin-2-amine is sourced from PubChem (CID 113470456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).