4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylbutan-1-amine

C15H24N2 — CID 142598065

IUPAC4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylbutan-1-amine
SMILESCC(CN)C(C)CN1CCc2ccccc2C1
InChIInChI=1S/C15H24N2/c1-12(9-16)13(2)10-17-8-7-14-5-3-4-6-15(14)11-17/h3-6,12-13H,7-11,16H2,1-2H3
InChIKeyKWEYVKZZFYNFTC-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.28
Rot. Bonds4

About 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylbutan-1-amine

4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylbutan-1-amine (PubChem CID 142598065) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylbutan-1-amine
PubChem CID142598065
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylbutan-1-amine
SMILESCC(CN)C(C)CN1CCc2ccccc2C1
InChIInChI=1S/C15H24N2/c1-12(9-16)13(2)10-17-8-7-14-5-3-4-6-15(14)11-17/h3-6,12-13H,7-11,16H2,1-2H3
InChIKeyKWEYVKZZFYNFTC-UHFFFAOYSA-N
XLogP2.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylbutan-1-amine with MolForge

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Related Compounds

(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 39238520
3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanamide
CID 82079357
(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanenitrile
CID 39161361
2-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine
CID 16641863
(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanoic acid
CID 93107764
2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)butan-1-amine
CID 65232676
(2R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-2-amine
CID 93302066
ethane;2-(2-methylhexyl)-3,4-dihydro-1H-isoquinoline
CID 158221381
1-(3,4-dihydro-1H-isoquinolin-2-yl)hexan-2-amine
CID 60854585
2-(3-methylbutyl)-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 3029138
2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)pentan-1-amine
CID 65232675
(2S)-3-methyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-2-amine
CID 112736651

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylbutan-1-amine?
The IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylbutan-1-amine (CID 142598065) is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylbutan-1-amine.
What is the SMILES notation for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylbutan-1-amine?
The canonical SMILES for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylbutan-1-amine is CC(CN)C(C)CN1CCc2ccccc2C1.
What is the InChIKey of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylbutan-1-amine?
The InChIKey is KWEYVKZZFYNFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12(9-16)13(2)10-17-8-7-14-5-3-4-6-15(14)11-17/h3-6,12-13H,7-11,16H2,1-2H3.
What are the key properties of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylbutan-1-amine?
4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylbutan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 142598065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).