1-cyclopropyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]ethanamine

C16H24N2 — CID 55085155

IUPAC1-cyclopropyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]ethanamine
SMILESCC(NCCN1CCc2ccccc2C1)C1CC1
InChIInChI=1S/C16H24N2/c1-13(14-6-7-14)17-9-11-18-10-8-15-4-2-3-5-16(15)12-18/h2-5,13-14,17H,6-12H2,1H3
InChIKeySQQJDHBWBRYVBZ-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.43
Rot. Bonds5

About 1-cyclopropyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]ethanamine

1-cyclopropyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]ethanamine (PubChem CID 55085155) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]ethanamine
PubChem CID55085155
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-cyclopropyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]ethanamine
SMILESCC(NCCN1CCc2ccccc2C1)C1CC1
InChIInChI=1S/C16H24N2/c1-13(14-6-7-14)17-9-11-18-10-8-15-4-2-3-5-16(15)12-18/h2-5,13-14,17H,6-12H2,1H3
InChIKeySQQJDHBWBRYVBZ-UHFFFAOYSA-N
XLogP2.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-[2-(1,3-dihydroisoindol-2-yl)ethyl]ethanamine
CID 55090114
N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-2-amine
CID 63155176
3-methyl-N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]butan-2-amine
CID 63153733
N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]butan-2-amine
CID 63153432
2-(3-methylbutyl)-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 3029138
1-cyclopropyl-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]ethanamine
CID 103503465
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]propane-2-sulfonamide
CID 47371840
(2R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-2-amine
CID 93302066
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexanamine
CID 60743974
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)butan-1-amine
CID 55070080
1-cyclopropyl-N-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]ethanamine
CID 63503815
N-[[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)oxolan-2-yl]methyl]propan-2-amine
CID 62424996

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]ethanamine?
The IUPAC name of 1-cyclopropyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]ethanamine (CID 55085155) is 1-cyclopropyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-cyclopropyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]ethanamine is CC(NCCN1CCc2ccccc2C1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]ethanamine?
The InChIKey is SQQJDHBWBRYVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-13(14-6-7-14)17-9-11-18-10-8-15-4-2-3-5-16(15)12-18/h2-5,13-14,17H,6-12H2,1H3.
What are the key properties of 1-cyclopropyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]ethanamine?
1-cyclopropyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]ethanamine has a molecular weight of 244.38 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]ethanamine is sourced from PubChem (CID 55085155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).