1-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)cyclopropan-1-amine

C14H20N2 — CID 84784940

IUPAC1-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)cyclopropan-1-amine
SMILESCCN1CCc2cc(C3(N)CC3)ccc2C1
InChIInChI=1S/C14H20N2/c1-2-16-8-5-11-9-13(14(15)6-7-14)4-3-12(11)10-16/h3-4,9H,2,5-8,10,15H2,1H3
InChIKeySNCVKAOTFWTPGB-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.01
Rot. Bonds2

About 1-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)cyclopropan-1-amine

1-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)cyclopropan-1-amine (PubChem CID 84784940) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 1-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)cyclopropan-1-amine
PubChem CID84784940
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name1-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)cyclopropan-1-amine
SMILESCCN1CCc2cc(C3(N)CC3)ccc2C1
InChIInChI=1S/C14H20N2/c1-2-16-8-5-11-9-13(14(15)6-7-14)4-3-12(11)10-16/h3-4,9H,2,5-8,10,15H2,1H3
InChIKeySNCVKAOTFWTPGB-UHFFFAOYSA-N
XLogP2.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)cyclopropan-1-amine?
The IUPAC name of 1-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)cyclopropan-1-amine (CID 84784940) is 1-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)cyclopropan-1-amine is CCN1CCc2cc(C3(N)CC3)ccc2C1.
What is the InChIKey of 1-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)cyclopropan-1-amine?
The InChIKey is SNCVKAOTFWTPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-2-16-8-5-11-9-13(14(15)6-7-14)4-3-12(11)10-16/h3-4,9H,2,5-8,10,15H2,1H3.
What are the key properties of 1-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)cyclopropan-1-amine?
1-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)cyclopropan-1-amine has a molecular weight of 216.33 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)cyclopropan-1-amine is sourced from PubChem (CID 84784940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).