3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-prop-1-en-2-ylpropan-1-amine

C16H24N2 — CID 138663721

IUPAC3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-prop-1-en-2-ylpropan-1-amine
SMILESC=C(C)NCC(C)CN1CCc2ccccc2C1
InChIInChI=1S/C16H24N2/c1-13(2)17-10-14(3)11-18-9-8-15-6-4-5-7-16(15)12-18/h4-7,14,17H,1,8-12H2,2-3H3
InChIKeyHUTQBIBZTAGAAP-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.80
Rot. Bonds5

About 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-prop-1-en-2-ylpropan-1-amine

3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-prop-1-en-2-ylpropan-1-amine (PubChem CID 138663721) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-prop-1-en-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-prop-1-en-2-ylpropan-1-amine
PubChem CID138663721
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-prop-1-en-2-ylpropan-1-amine
SMILESC=C(C)NCC(C)CN1CCc2ccccc2C1
InChIInChI=1S/C16H24N2/c1-13(2)17-10-14(3)11-18-9-8-15-6-4-5-7-16(15)12-18/h4-7,14,17H,1,8-12H2,2-3H3
InChIKeyHUTQBIBZTAGAAP-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 39238520
2-methyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-1-ol
CID 115873112
ethane;2-(2-methylhexyl)-3,4-dihydro-1H-isoquinoline
CID 158221381
3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-[1-[6-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyrimidin-2-yl]ethenyl]propan-1-amine
CID 138664103
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-(propan-2-ylamino)pyridine-4-carboxamide;propane
CID 145015056
2-methyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-ol
CID 115873061
3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanamide
CID 82079357
(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanoic acid
CID 93107764
(3E)-3-[(Z)-but-2-en-2-yl]-5-N-[1-(2,2-difluoropropyl)pyrrolidin-3-yl]-2-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]hexa-1,3,5-triene-2,5-diamine
CID 170056186
1-(cyclopropylamino)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 43165764
2,6-diazaspiro[3.3]heptan-2-yl-[2-[1-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]amino]ethenyl]imidazo[1,2-a]pyridin-6-yl]methanone
CID 142598040
(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanenitrile
CID 39161361

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-prop-1-en-2-ylpropan-1-amine?
The IUPAC name of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-prop-1-en-2-ylpropan-1-amine (CID 138663721) is 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-prop-1-en-2-ylpropan-1-amine.
What is the SMILES notation for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-prop-1-en-2-ylpropan-1-amine?
The canonical SMILES for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-prop-1-en-2-ylpropan-1-amine is C=C(C)NCC(C)CN1CCc2ccccc2C1.
What is the InChIKey of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-prop-1-en-2-ylpropan-1-amine?
The InChIKey is HUTQBIBZTAGAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-13(2)17-10-14(3)11-18-9-8-15-6-4-5-7-16(15)12-18/h4-7,14,17H,1,8-12H2,2-3H3.
What are the key properties of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-prop-1-en-2-ylpropan-1-amine?
3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-prop-1-en-2-ylpropan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-prop-1-en-2-ylpropan-1-amine is sourced from PubChem (CID 138663721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).