3-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-2-amine

C17H25N3O — CID 62209123

IUPAC3-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-2-amine
SMILESCCC(C)N(CCOC)Cc1cc2ccccc2nc1N
InChIInChI=1S/C17H25N3O/c1-4-13(2)20(9-10-21-3)12-15-11-14-7-5-6-8-16(14)19-17(15)18/h5-8,11,13H,4,9-10,12H2,1-3H3,(H2,18,19)
InChIKeyCGYCEPNOLZSNNE-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.06
Rot. Bonds7

About 3-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-2-amine

3-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-2-amine (PubChem CID 62209123) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-2-amine.

Molecular Properties

Compound Name3-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-2-amine
PubChem CID62209123
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name3-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-2-amine
SMILESCCC(C)N(CCOC)Cc1cc2ccccc2nc1N
InChIInChI=1S/C17H25N3O/c1-4-13(2)20(9-10-21-3)12-15-11-14-7-5-6-8-16(14)19-17(15)18/h5-8,11,13H,4,9-10,12H2,1-3H3,(H2,18,19)
InChIKeyCGYCEPNOLZSNNE-UHFFFAOYSA-N
XLogP3.06
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[butan-2-yl(2-methoxyethyl)amino]methyl]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

Related Compounds

2-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-4-amine
CID 115485824
3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]quinolin-2-amine
CID 62208799
6-[[butan-2-yl(2-methoxyethyl)amino]methyl]pyridin-2-amine
CID 79244015
N-[(2-bromo-5-methoxyphenyl)methyl]-N-(2-methoxyethyl)butan-2-amine
CID 65325866
3-[[ethyl(2-methoxyethyl)amino]methyl]-7-methoxyquinolin-2-amine
CID 62208238
2-[(2-aminoquinolin-3-yl)methyl-methylamino]ethanol
CID 62182083
N-[(2-chloroquinolin-3-yl)methyl]-N-ethyl-2-methoxyethanamine
CID 61447959
3-N-(2-methoxyethyl)-3-N-propan-2-ylquinoxaline-2,3-diamine
CID 102987053
1-[[butan-2-yl(2-methoxyethyl)amino]methyl]naphthalen-2-ol
CID 115281985
3-butan-2-ylquinolin-2-amine
CID 118184851
3-N,3-N-bis(2-methoxyethyl)quinoxaline-2,3-diamine
CID 102986130
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-6-methylphenol
CID 112553492

Frequently Asked Questions

What is the IUPAC name of 3-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-2-amine?
The IUPAC name of 3-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-2-amine (CID 62209123) is 3-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-2-amine.
What is the SMILES notation for 3-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-2-amine?
The canonical SMILES for 3-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-2-amine is CCC(C)N(CCOC)Cc1cc2ccccc2nc1N.
What is the InChIKey of 3-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-2-amine?
The InChIKey is CGYCEPNOLZSNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-13(2)20(9-10-21-3)12-15-11-14-7-5-6-8-16(14)19-17(15)18/h5-8,11,13H,4,9-10,12H2,1-3H3,(H2,18,19).
What are the key properties of 3-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-2-amine?
3-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-2-amine has a molecular weight of 287.41 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-2-amine is sourced from PubChem (CID 62209123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).