N-ethyl-3-[[ethyl(2-methylpropyl)amino]methyl]quinolin-2-amine

C18H27N3 — CID 62184472

IUPACN-ethyl-3-[[ethyl(2-methylpropyl)amino]methyl]quinolin-2-amine
SMILESCCNc1nc2ccccc2cc1CN(CC)CC(C)C
InChIInChI=1S/C18H27N3/c1-5-19-18-16(13-21(6-2)12-14(3)4)11-15-9-7-8-10-17(15)20-18/h7-11,14H,5-6,12-13H2,1-4H3,(H,19,20)
InChIKeyCCSZOJFIVQQYFM-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.14
Rot. Bonds7

About N-ethyl-3-[[ethyl(2-methylpropyl)amino]methyl]quinolin-2-amine

N-ethyl-3-[[ethyl(2-methylpropyl)amino]methyl]quinolin-2-amine (PubChem CID 62184472) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-ethyl-3-[[ethyl(2-methylpropyl)amino]methyl]quinolin-2-amine.

Molecular Properties

Compound NameN-ethyl-3-[[ethyl(2-methylpropyl)amino]methyl]quinolin-2-amine
PubChem CID62184472
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-ethyl-3-[[ethyl(2-methylpropyl)amino]methyl]quinolin-2-amine
SMILESCCNc1nc2ccccc2cc1CN(CC)CC(C)C
InChIInChI=1S/C18H27N3/c1-5-19-18-16(13-21(6-2)12-14(3)4)11-15-9-7-8-10-17(15)20-18/h7-11,14H,5-6,12-13H2,1-4H3,(H,19,20)
InChIKeyCCSZOJFIVQQYFM-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-propylquinolin-2-amine
CID 63232591
3-[[cyclopropyl(methyl)amino]methyl]-N-ethylquinolin-2-amine
CID 62182539
N-[(2-hydrazinylquinolin-3-yl)methyl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 62245538
2-[[2-(ethylamino)quinolin-3-yl]methyl-methylamino]-N-methylacetamide
CID 62183803
N-ethyl-3-(2-propan-2-yloxyethoxymethyl)quinolin-2-amine
CID 62193399
N-methyl-3-[[methyl(2-methylbutyl)amino]methyl]quinolin-2-amine
CID 62184502
N-[(2-hydrazinylquinolin-3-yl)methyl]-N-propan-2-ylpropan-1-amine
CID 62245580
3-[(4,5-dimethylimidazol-1-yl)methyl]-N-ethylquinolin-2-amine
CID 62351315
N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 62421624
N-ethyl-3-(1,3-thiazol-2-ylsulfanylmethyl)quinolin-2-amine
CID 62188972
3-[methyl-[[2-(methylamino)quinolin-3-yl]methyl]amino]butanenitrile
CID 63223887
3-(bromomethyl)-N-ethyl-N-methylquinolin-2-amine
CID 107079806

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[ethyl(2-methylpropyl)amino]methyl]quinolin-2-amine?
The IUPAC name of N-ethyl-3-[[ethyl(2-methylpropyl)amino]methyl]quinolin-2-amine (CID 62184472) is N-ethyl-3-[[ethyl(2-methylpropyl)amino]methyl]quinolin-2-amine.
What is the SMILES notation for N-ethyl-3-[[ethyl(2-methylpropyl)amino]methyl]quinolin-2-amine?
The canonical SMILES for N-ethyl-3-[[ethyl(2-methylpropyl)amino]methyl]quinolin-2-amine is CCNc1nc2ccccc2cc1CN(CC)CC(C)C.
What is the InChIKey of N-ethyl-3-[[ethyl(2-methylpropyl)amino]methyl]quinolin-2-amine?
The InChIKey is CCSZOJFIVQQYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-5-19-18-16(13-21(6-2)12-14(3)4)11-15-9-7-8-10-17(15)20-18/h7-11,14H,5-6,12-13H2,1-4H3,(H,19,20).
What are the key properties of N-ethyl-3-[[ethyl(2-methylpropyl)amino]methyl]quinolin-2-amine?
N-ethyl-3-[[ethyl(2-methylpropyl)amino]methyl]quinolin-2-amine has a molecular weight of 285.44 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[ethyl(2-methylpropyl)amino]methyl]quinolin-2-amine is sourced from PubChem (CID 62184472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).