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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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).