3-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-amine

C14H20N2 — CID 176702451

IUPAC3-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-amine
SMILESC=C(N)CN1CCc2ccc(CC)cc2C1
InChIInChI=1S/C14H20N2/c1-3-12-4-5-13-6-7-16(9-11(2)15)10-14(13)8-12/h4-5,8H,2-3,6-7,9-10,15H2,1H3
InChIKeyOOQSGOQOCBBJNV-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.08
Rot. Bonds3

About 3-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-amine

3-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-amine (PubChem CID 176702451) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 3-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-amine.

Molecular Properties

Compound Name3-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-amine
PubChem CID176702451
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name3-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-amine
SMILESC=C(N)CN1CCc2ccc(CC)cc2C1
InChIInChI=1S/C14H20N2/c1-3-12-4-5-13-6-7-16(9-11(2)15)10-14(13)8-12/h4-5,8H,2-3,6-7,9-10,15H2,1H3
InChIKeyOOQSGOQOCBBJNV-UHFFFAOYSA-N
XLogP2.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 110456802
ethane;7-ethyl-2-(3-fluoropropyl)-3,4-dihydro-1H-isoquinoline
CID 171523747
2-(cyclopentylmethyl)-7-ethyl-3,4-dihydro-1H-isoquinoline
CID 171523042
1-(azetidin-1-yl)-2-(6-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 138530494
2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline
CID 15519082
7-ethyl-2-phenyl-3,4-dihydro-1H-isoquinoline
CID 168897972
2-[3-(4-chlorophenyl)propyl]-7-ethyl-3,4-dihydro-1H-isoquinoline
CID 110456814
2-cyclopropyl-7-ethyl-3,4-dihydro-1H-isoquinoline
CID 138530633
2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline;ethane
CID 145118805
ethane;2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 171523229
(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
CID 168898310
1-(7-ethyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 143342026

Frequently Asked Questions

What is the IUPAC name of 3-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-amine?
The IUPAC name of 3-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-amine (CID 176702451) is 3-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-amine.
What is the SMILES notation for 3-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-amine?
The canonical SMILES for 3-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-amine is C=C(N)CN1CCc2ccc(CC)cc2C1.
What is the InChIKey of 3-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-amine?
The InChIKey is OOQSGOQOCBBJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-3-12-4-5-13-6-7-16(9-11(2)15)10-14(13)8-12/h4-5,8H,2-3,6-7,9-10,15H2,1H3.
What are the key properties of 3-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-amine?
3-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-amine has a molecular weight of 216.33 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-amine is sourced from PubChem (CID 176702451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).