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

C15H24N2 — CID 60854585

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)hexan-2-amine
SMILESCCCCC(N)CN1CCc2ccccc2C1
InChIInChI=1S/C15H24N2/c1-2-3-8-15(16)12-17-10-9-13-6-4-5-7-14(13)11-17/h4-7,15H,2-3,8-12,16H2,1H3
InChIKeyHOUBHDGSWYECHF-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.56
Rot. Bonds5

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

1-(3,4-dihydro-1H-isoquinolin-2-yl)hexan-2-amine (PubChem CID 60854585) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)hexan-2-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)hexan-2-amine
PubChem CID60854585
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)hexan-2-amine
SMILESCCCCC(N)CN1CCc2ccccc2C1
InChIInChI=1S/C15H24N2/c1-2-3-8-15(16)12-17-10-9-13-6-4-5-7-14(13)11-17/h4-7,15H,2-3,8-12,16H2,1H3
InChIKeyHOUBHDGSWYECHF-UHFFFAOYSA-N
XLogP2.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-(2-methylhexyl)-3,4-dihydro-1H-isoquinoline
CID 158221381
1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxybutan-2-amine
CID 55080824
2-undecyl-3,4-dihydro-1H-isoquinoline
CID 76900260
2-pentyl-3,4-dihydro-1H-isoquinoline
CID 24138
1-(3,4-dihydro-1H-isoquinolin-2-yl)decan-2-yl hydrogen sulfate
CID 87063688
(2R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-2-amine
CID 93302066
1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propylpentan-2-amine
CID 62043567
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 39238520
4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylbutan-1-amine
CID 142598065
2-(3,4-dihydro-1H-isoquinolin-2-yl)octan-1-amine
CID 43130422
(2S)-1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pentan-2-amine
CID 112736679
2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)pentan-1-amine
CID 65232675

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)hexan-2-amine?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)hexan-2-amine (CID 60854585) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)hexan-2-amine.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)hexan-2-amine?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)hexan-2-amine is CCCCC(N)CN1CCc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)hexan-2-amine?
The InChIKey is HOUBHDGSWYECHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-2-3-8-15(16)12-17-10-9-13-6-4-5-7-14(13)11-17/h4-7,15H,2-3,8-12,16H2,1H3.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)hexan-2-amine?
1-(3,4-dihydro-1H-isoquinolin-2-yl)hexan-2-amine has a molecular weight of 232.37 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinolin-2-yl)hexan-2-amine is sourced from PubChem (CID 60854585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).