N,N-diethyl-2-[(2-methylpropylamino)methyl]quinolin-4-amine

C18H27N3 — CID 63373858

IUPACN,N-diethyl-2-[(2-methylpropylamino)methyl]quinolin-4-amine
SMILESCCN(CC)c1cc(CNCC(C)C)nc2ccccc12
InChIInChI=1S/C18H27N3/c1-5-21(6-2)18-11-15(13-19-12-14(3)4)20-17-10-8-7-9-16(17)18/h7-11,14,19H,5-6,12-13H2,1-4H3
InChIKeyOCWAEMFPKMJDAX-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.83
Rot. Bonds7

About N,N-diethyl-2-[(2-methylpropylamino)methyl]quinolin-4-amine

N,N-diethyl-2-[(2-methylpropylamino)methyl]quinolin-4-amine (PubChem CID 63373858) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N,N-diethyl-2-[(2-methylpropylamino)methyl]quinolin-4-amine.

Molecular Properties

Compound NameN,N-diethyl-2-[(2-methylpropylamino)methyl]quinolin-4-amine
PubChem CID63373858
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN,N-diethyl-2-[(2-methylpropylamino)methyl]quinolin-4-amine
SMILESCCN(CC)c1cc(CNCC(C)C)nc2ccccc12
InChIInChI=1S/C18H27N3/c1-5-21(6-2)18-11-15(13-19-12-14(3)4)20-17-10-8-7-9-16(17)18/h7-11,14,19H,5-6,12-13H2,1-4H3
InChIKeyOCWAEMFPKMJDAX-UHFFFAOYSA-N
XLogP3.83
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(tert-butylamino)methyl]-N,N-diethylquinolin-4-amine
CID 63373896
N,N-dimethyl-3-[(2-methylpropylamino)methyl]isoquinolin-1-amine
CID 62279284
2-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 28774774
2-(ethylaminomethyl)-N-methyl-N-propylquinolin-4-amine
CID 55183246
N-methyl-N-propyl-2-(propylaminomethyl)quinolin-4-amine
CID 63374301
N-cyclopropyl-N-ethyl-2-[(propan-2-ylamino)methyl]quinolin-4-amine
CID 63373958
N-methyl-2-[(propan-2-ylamino)methyl]-N-propylquinolin-4-amine
CID 63374302
N-[(1-ethoxyisoquinolin-3-yl)methyl]-2-methylpropan-1-amine
CID 62292089
2-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)quinolin-4-amine
CID 63373834
2-(aminomethyl)-N-ethyl-N-(2-methylprop-2-enyl)quinolin-4-amine
CID 63374388
2-methyl-N-[(1-propoxyisoquinolin-3-yl)methyl]propan-1-amine
CID 62290073
2-(aminomethyl)-N,N-dibutylquinolin-4-amine
CID 63374040

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(2-methylpropylamino)methyl]quinolin-4-amine?
The IUPAC name of N,N-diethyl-2-[(2-methylpropylamino)methyl]quinolin-4-amine (CID 63373858) is N,N-diethyl-2-[(2-methylpropylamino)methyl]quinolin-4-amine.
What is the SMILES notation for N,N-diethyl-2-[(2-methylpropylamino)methyl]quinolin-4-amine?
The canonical SMILES for N,N-diethyl-2-[(2-methylpropylamino)methyl]quinolin-4-amine is CCN(CC)c1cc(CNCC(C)C)nc2ccccc12.
What is the InChIKey of N,N-diethyl-2-[(2-methylpropylamino)methyl]quinolin-4-amine?
The InChIKey is OCWAEMFPKMJDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-5-21(6-2)18-11-15(13-19-12-14(3)4)20-17-10-8-7-9-16(17)18/h7-11,14,19H,5-6,12-13H2,1-4H3.
What are the key properties of N,N-diethyl-2-[(2-methylpropylamino)methyl]quinolin-4-amine?
N,N-diethyl-2-[(2-methylpropylamino)methyl]quinolin-4-amine has a molecular weight of 285.44 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(2-methylpropylamino)methyl]quinolin-4-amine is sourced from PubChem (CID 63373858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).