N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropan-2-amine

C16H26N2 — CID 55070081

IUPACN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropan-2-amine
SMILESCC(CNC(C)(C)C)N1CCc2ccccc2C1
InChIInChI=1S/C16H26N2/c1-13(11-17-16(2,3)4)18-10-9-14-7-5-6-8-15(14)12-18/h5-8,13,17H,9-12H2,1-4H3
InChIKeyIKZNQNMCSJBAEV-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.82
Rot. Bonds3

About N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropan-2-amine

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropan-2-amine (PubChem CID 55070081) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropan-2-amine
PubChem CID55070081
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropan-2-amine
SMILESCC(CNC(C)(C)C)N1CCc2ccccc2C1
InChIInChI=1S/C16H26N2/c1-13(11-17-16(2,3)4)18-10-9-14-7-5-6-8-15(14)12-18/h5-8,13,17H,9-12H2,1-4H3
InChIKeyIKZNQNMCSJBAEV-UHFFFAOYSA-N
XLogP2.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]-2-methylpropan-2-amine
CID 63192958
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]ethanesulfonamide
CID 94060161
2-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine
CID 16641863
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropanamide
CID 47163208
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]cyclopropanecarboxamide
CID 47163209
N-tert-butyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine
CID 83039576
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111121019
1-tert-butyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]guanidine
CID 111067324
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,3,3-trifluoropropanamide
CID 94054122
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-hydroxy-2-phenylacetamide
CID 111464478
5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propylamino]pyrazine-2-carboxylic acid
CID 122047957
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,4-dimethylbenzenesulfonamide
CID 35608543

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropan-2-amine (CID 55070081) is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropan-2-amine is CC(CNC(C)(C)C)N1CCc2ccccc2C1.
What is the InChIKey of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropan-2-amine?
The InChIKey is IKZNQNMCSJBAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13(11-17-16(2,3)4)18-10-9-14-7-5-6-8-15(14)12-18/h5-8,13,17H,9-12H2,1-4H3.
What are the key properties of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropan-2-amine?
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropan-2-amine has a molecular weight of 246.40 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 55070081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).