2-[(tert-butylamino)methyl]-N,N-diethylquinolin-4-amine

C18H27N3 — CID 63373896

IUPAC2-[(tert-butylamino)methyl]-N,N-diethylquinolin-4-amine
SMILESCCN(CC)c1cc(CNC(C)(C)C)nc2ccccc12
InChIInChI=1S/C18H27N3/c1-6-21(7-2)17-12-14(13-19-18(3,4)5)20-16-11-9-8-10-15(16)17/h8-12,19H,6-7,13H2,1-5H3
InChIKeyWBJGDPPKBFKGPZ-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.97
Rot. Bonds5

About 2-[(tert-butylamino)methyl]-N,N-diethylquinolin-4-amine

2-[(tert-butylamino)methyl]-N,N-diethylquinolin-4-amine (PubChem CID 63373896) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 2-[(tert-butylamino)methyl]-N,N-diethylquinolin-4-amine.

Molecular Properties

Compound Name2-[(tert-butylamino)methyl]-N,N-diethylquinolin-4-amine
PubChem CID63373896
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name2-[(tert-butylamino)methyl]-N,N-diethylquinolin-4-amine
SMILESCCN(CC)c1cc(CNC(C)(C)C)nc2ccccc12
InChIInChI=1S/C18H27N3/c1-6-21(7-2)17-12-14(13-19-18(3,4)5)20-16-11-9-8-10-15(16)17/h8-12,19H,6-7,13H2,1-5H3
InChIKeyWBJGDPPKBFKGPZ-UHFFFAOYSA-N
XLogP3.97
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[(2-methylpropylamino)methyl]quinolin-4-amine
CID 63373858
N-[(4-methoxyquinolin-2-yl)methyl]-2-methylpropan-2-amine
CID 63377449
2-methyl-N-[[4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]methyl]propan-2-amine
CID 63377178
N-[(4-butan-2-yloxyquinolin-2-yl)methyl]-2-methylpropan-2-amine
CID 63377139
N-[(4-but-3-enoxyquinolin-2-yl)methyl]-2-methylpropan-2-amine
CID 63377041
2-(aminomethyl)-N-ethyl-N-(2-methylprop-2-enyl)quinolin-4-amine
CID 63374388
2-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)quinolin-4-amine
CID 63373834
2-(aminomethyl)-N,N-dibutylquinolin-4-amine
CID 63374040
2-(ethylaminomethyl)-N-methyl-N-propylquinolin-4-amine
CID 55183246
N-methyl-N-propyl-2-(propylaminomethyl)quinolin-4-amine
CID 63374301
2-methyl-N-[(4-methylsulfonylquinolin-2-yl)methyl]butan-2-amine
CID 59768547
N,N-dibutyl-2-(chloromethyl)quinolin-4-amine
CID 63445296

Frequently Asked Questions

What is the IUPAC name of 2-[(tert-butylamino)methyl]-N,N-diethylquinolin-4-amine?
The IUPAC name of 2-[(tert-butylamino)methyl]-N,N-diethylquinolin-4-amine (CID 63373896) is 2-[(tert-butylamino)methyl]-N,N-diethylquinolin-4-amine.
What is the SMILES notation for 2-[(tert-butylamino)methyl]-N,N-diethylquinolin-4-amine?
The canonical SMILES for 2-[(tert-butylamino)methyl]-N,N-diethylquinolin-4-amine is CCN(CC)c1cc(CNC(C)(C)C)nc2ccccc12.
What is the InChIKey of 2-[(tert-butylamino)methyl]-N,N-diethylquinolin-4-amine?
The InChIKey is WBJGDPPKBFKGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-6-21(7-2)17-12-14(13-19-18(3,4)5)20-16-11-9-8-10-15(16)17/h8-12,19H,6-7,13H2,1-5H3.
What are the key properties of 2-[(tert-butylamino)methyl]-N,N-diethylquinolin-4-amine?
2-[(tert-butylamino)methyl]-N,N-diethylquinolin-4-amine has a molecular weight of 285.44 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(tert-butylamino)methyl]-N,N-diethylquinolin-4-amine is sourced from PubChem (CID 63373896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).