1-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine

C15H20N4 — CID 62735499

IUPAC1-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine
SMILESCCn1ccnc1CN1CCCc2c(N)cccc21
InChIInChI=1S/C15H20N4/c1-2-18-10-8-17-15(18)11-19-9-4-5-12-13(16)6-3-7-14(12)19/h3,6-8,10H,2,4-5,9,11,16H2,1H3
InChIKeyNUEDNGCRLBGSEK-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.44
Rot. Bonds3

About 1-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine

1-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine (PubChem CID 62735499) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine.

Molecular Properties

Compound Name1-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine
PubChem CID62735499
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name1-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine
SMILESCCn1ccnc1CN1CCCc2c(N)cccc21
InChIInChI=1S/C15H20N4/c1-2-18-10-8-17-15(18)11-19-9-4-5-12-13(16)6-3-7-14(12)19/h3,6-8,10H,2,4-5,9,11,16H2,1H3
InChIKeyNUEDNGCRLBGSEK-UHFFFAOYSA-N
XLogP2.44
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-butyl-3,4-dihydro-2H-quinolin-5-amine
CID 60972612
1-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-5-amine
CID 115777489
1-[2-(diethylamino)ethyl]-3,4-dihydro-2H-quinolin-5-amine
CID 60971754
1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine
CID 61496237
1-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine;hydrochloride
CID 120897129
1-(2-methylsulfonylethyl)-3,4-dihydro-2H-quinolin-5-amine
CID 54881503
2-[2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)ethoxy]propanenitrile
CID 114266629
1-[(1-ethylimidazol-2-yl)methyl]-3-methylpyridin-2-one
CID 115616696
1-[(5-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopentan-1-ol
CID 65212762
1-methyl-2,3,4,5-tetrahydro-1-benzazepin-6-amine
CID 83852967
N-[4-[(5-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 115281590
3-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylpropanamide
CID 60972396

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine?
The IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine (CID 62735499) is 1-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine.
What is the SMILES notation for 1-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine?
The canonical SMILES for 1-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine is CCn1ccnc1CN1CCCc2c(N)cccc21.
What is the InChIKey of 1-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine?
The InChIKey is NUEDNGCRLBGSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-2-18-10-8-17-15(18)11-19-9-4-5-12-13(16)6-3-7-14(12)19/h3,6-8,10H,2,4-5,9,11,16H2,1H3.
What are the key properties of 1-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine?
1-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine has a molecular weight of 256.35 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine is sourced from PubChem (CID 62735499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).