3-ethyl-N,2-dimethyl-N-(oxan-4-ylmethyl)quinolin-4-amine

C19H26N2O — CID 133438764

IUPAC3-ethyl-N,2-dimethyl-N-(oxan-4-ylmethyl)quinolin-4-amine
SMILESCCc1c(C)nc2ccccc2c1N(C)CC1CCOCC1
InChIInChI=1S/C19H26N2O/c1-4-16-14(2)20-18-8-6-5-7-17(18)19(16)21(3)13-15-9-11-22-12-10-15/h5-8,15H,4,9-13H2,1-3H3
InChIKeyZGNSDEGOIHNXNQ-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.97
Rot. Bonds4

About 3-ethyl-N,2-dimethyl-N-(oxan-4-ylmethyl)quinolin-4-amine

3-ethyl-N,2-dimethyl-N-(oxan-4-ylmethyl)quinolin-4-amine (PubChem CID 133438764) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-ethyl-N,2-dimethyl-N-(oxan-4-ylmethyl)quinolin-4-amine.

Molecular Properties

Compound Name3-ethyl-N,2-dimethyl-N-(oxan-4-ylmethyl)quinolin-4-amine
PubChem CID133438764
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name3-ethyl-N,2-dimethyl-N-(oxan-4-ylmethyl)quinolin-4-amine
SMILESCCc1c(C)nc2ccccc2c1N(C)CC1CCOCC1
InChIInChI=1S/C19H26N2O/c1-4-16-14(2)20-18-8-6-5-7-17(18)19(16)21(3)13-15-9-11-22-12-10-15/h5-8,15H,4,9-13H2,1-3H3
InChIKeyZGNSDEGOIHNXNQ-UHFFFAOYSA-N
XLogP3.97
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-methyl-4-N-(oxan-4-ylmethyl)quinazoline-2,4-diamine
CID 80845799
3-ethyl-2-methyl-N-(oxolan-3-yl)quinolin-4-amine
CID 133438561
N-methyl-N-(oxan-4-ylmethyl)quinoxalin-2-amine
CID 146043495
N-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]-N-methylethanesulfonamide
CID 133437703
N-(cyclopropylmethyl)-N-methyl-4-(methylaminomethyl)quinolin-2-amine
CID 62283322
3-ethyl-2-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]quinolin-4-amine
CID 97340056
4-ethyl-N-methyl-N-(oxan-4-ylmethyl)-1,3-oxazol-2-amine
CID 70955032
3-methyl-N-(oxan-4-ylmethyl)quinoxalin-2-amine
CID 62350855
[2-[cyclopentylmethyl(methyl)amino]quinolin-4-yl]methanol
CID 63631449
3-methyl-2-[methyl(oxan-4-ylmethyl)amino]benzoic acid
CID 107112201
ethyl 4-[cyclopropylmethyl(methyl)amino]quinoline-3-carboxylate
CID 133277761
1-N-methyl-2-N-[[4-[methyl(oxolan-3-ylmethyl)amino]quinazolin-2-yl]methyl]benzene-1,2-diamine
CID 123670712

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N,2-dimethyl-N-(oxan-4-ylmethyl)quinolin-4-amine?
The IUPAC name of 3-ethyl-N,2-dimethyl-N-(oxan-4-ylmethyl)quinolin-4-amine (CID 133438764) is 3-ethyl-N,2-dimethyl-N-(oxan-4-ylmethyl)quinolin-4-amine.
What is the SMILES notation for 3-ethyl-N,2-dimethyl-N-(oxan-4-ylmethyl)quinolin-4-amine?
The canonical SMILES for 3-ethyl-N,2-dimethyl-N-(oxan-4-ylmethyl)quinolin-4-amine is CCc1c(C)nc2ccccc2c1N(C)CC1CCOCC1.
What is the InChIKey of 3-ethyl-N,2-dimethyl-N-(oxan-4-ylmethyl)quinolin-4-amine?
The InChIKey is ZGNSDEGOIHNXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-4-16-14(2)20-18-8-6-5-7-17(18)19(16)21(3)13-15-9-11-22-12-10-15/h5-8,15H,4,9-13H2,1-3H3.
What are the key properties of 3-ethyl-N,2-dimethyl-N-(oxan-4-ylmethyl)quinolin-4-amine?
3-ethyl-N,2-dimethyl-N-(oxan-4-ylmethyl)quinolin-4-amine has a molecular weight of 298.43 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N,2-dimethyl-N-(oxan-4-ylmethyl)quinolin-4-amine is sourced from PubChem (CID 133438764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).