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

C17H28N2 — CID 62043567

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propylpentan-2-amine
SMILESCCCNC(CCC)CN1CCc2ccccc2C1
InChIInChI=1S/C17H28N2/c1-3-7-17(18-11-4-2)14-19-12-10-15-8-5-6-9-16(15)13-19/h5-6,8-9,17-18H,3-4,7,10-14H2,1-2H3
InChIKeyQRWGFDAQGVETMX-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.21
Rot. Bonds7

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

1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propylpentan-2-amine (PubChem CID 62043567) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propylpentan-2-amine
PubChem CID62043567
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propylpentan-2-amine
SMILESCCCNC(CCC)CN1CCc2ccccc2C1
InChIInChI=1S/C17H28N2/c1-3-7-17(18-11-4-2)14-19-12-10-15-8-5-6-9-16(15)13-19/h5-6,8-9,17-18H,3-4,7,10-14H2,1-2H3
InChIKeyQRWGFDAQGVETMX-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.21
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)hexan-2-amine
CID 60854585
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 39238520
N-propyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-2-amine
CID 63155130
2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)pentan-1-amine
CID 65232675
N-[3-(2,3-dihydroindol-1-yl)propyl]heptan-4-amine
CID 43111286
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]pentan-1-amine
CID 62573872
2-pentyl-3,4-dihydro-1H-isoquinoline
CID 24138
4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylbutan-1-amine
CID 142598065
1-(4,4-diethylpiperidin-1-yl)-N-propylpentan-2-amine
CID 63468589
(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanenitrile
CID 39161361
N-[2-(1,3-dihydroisoindol-2-yl)ethyl]propan-1-amine
CID 62204668

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propylpentan-2-amine?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propylpentan-2-amine (CID 62043567) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propylpentan-2-amine.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propylpentan-2-amine?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propylpentan-2-amine is CCCNC(CCC)CN1CCc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propylpentan-2-amine?
The InChIKey is QRWGFDAQGVETMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-7-17(18-11-4-2)14-19-12-10-15-8-5-6-9-16(15)13-19/h5-6,8-9,17-18H,3-4,7,10-14H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propylpentan-2-amine?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propylpentan-2-amine has a molecular weight of 260.43 g/mol, XLogP of 3.21, 7 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)-N-propylpentan-2-amine is sourced from PubChem (CID 62043567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).