2-[1-[(2-ethyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine

C16H23N5 — CID 138052623

IUPAC2-[1-[(2-ethyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine
SMILESCCn1ncc(CN2CCCc3cc(CCN)ccc32)n1
InChIInChI=1S/C16H23N5/c1-2-21-18-11-15(19-21)12-20-9-3-4-14-10-13(7-8-17)5-6-16(14)20/h5-6,10-11H,2-4,7-9,12,17H2,1H3
InChIKeyYDSPPCCVEMZGBL-UHFFFAOYSA-N
MW285.40 g/mol
LogP1.75
Rot. Bonds5

About 2-[1-[(2-ethyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine

2-[1-[(2-ethyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine (PubChem CID 138052623) has the molecular formula C16H23N5 and a molecular weight of 285.40 g/mol. Its IUPAC name is 2-[1-[(2-ethyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(2-ethyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine
PubChem CID138052623
Molecular FormulaC16H23N5
Molecular Weight285.40 g/mol
Exact Mass285.20
IUPAC Name2-[1-[(2-ethyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine
SMILESCCn1ncc(CN2CCCc3cc(CCN)ccc32)n1
InChIInChI=1S/C16H23N5/c1-2-21-18-11-15(19-21)12-20-9-3-4-14-10-13(7-8-17)5-6-16(14)20/h5-6,10-11H,2-4,7-9,12,17H2,1H3
InChIKeyYDSPPCCVEMZGBL-UHFFFAOYSA-N
XLogP1.75
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[(2-ethyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine with MolForge

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Related Compounds

2-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 166362193
3-(1-butyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-amine
CID 170867536
(1-heptyl-3,4-dihydro-2H-quinolin-6-yl)methanamine
CID 63527146
2-[1-[(1-ethylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-7-yl]acetic acid
CID 166305840
2-(1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)ethanamine
CID 82263620
7-chloro-1-[(2-methyltetrazol-5-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepine
CID 136552606
6-chloro-1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-quinoline
CID 78860791
2-(2-ethylbenzotriazol-5-yl)ethanamine
CID 84719598
3-(1-methyl-2,3-dihydroindol-5-yl)propan-1-amine
CID 62095510
4-[3-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)propyl]morpholine
CID 170870224
2-(1-cyclopentyl-2,3-dihydroindol-5-yl)ethanamine
CID 115115356
2-[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
CID 63784065

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-ethyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine?
The IUPAC name of 2-[1-[(2-ethyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine (CID 138052623) is 2-[1-[(2-ethyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine.
What is the SMILES notation for 2-[1-[(2-ethyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine?
The canonical SMILES for 2-[1-[(2-ethyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine is CCn1ncc(CN2CCCc3cc(CCN)ccc32)n1.
What is the InChIKey of 2-[1-[(2-ethyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine?
The InChIKey is YDSPPCCVEMZGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-2-21-18-11-15(19-21)12-20-9-3-4-14-10-13(7-8-17)5-6-16(14)20/h5-6,10-11H,2-4,7-9,12,17H2,1H3.
What are the key properties of 2-[1-[(2-ethyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine?
2-[1-[(2-ethyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine has a molecular weight of 285.40 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-ethyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine is sourced from PubChem (CID 138052623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).