1-isoquinolin-1-yl-N,3-dimethylhexan-1-amine

C17H24N2 — CID 63948446

IUPAC1-isoquinolin-1-yl-N,3-dimethylhexan-1-amine
SMILESCCCC(C)CC(NC)c1nccc2ccccc12
InChIInChI=1S/C17H24N2/c1-4-7-13(2)12-16(18-3)17-15-9-6-5-8-14(15)10-11-19-17/h5-6,8-11,13,16,18H,4,7,12H2,1-3H3
InChIKeyVYJVPJHGDXHHPA-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.32
Rot. Bonds6

About 1-isoquinolin-1-yl-N,3-dimethylhexan-1-amine

1-isoquinolin-1-yl-N,3-dimethylhexan-1-amine (PubChem CID 63948446) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-isoquinolin-1-yl-N,3-dimethylhexan-1-amine.

Molecular Properties

Compound Name1-isoquinolin-1-yl-N,3-dimethylhexan-1-amine
PubChem CID63948446
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name1-isoquinolin-1-yl-N,3-dimethylhexan-1-amine
SMILESCCCC(C)CC(NC)c1nccc2ccccc12
InChIInChI=1S/C17H24N2/c1-4-7-13(2)12-16(18-3)17-15-9-6-5-8-14(15)10-11-19-17/h5-6,8-11,13,16,18H,4,7,12H2,1-3H3
InChIKeyVYJVPJHGDXHHPA-UHFFFAOYSA-N
XLogP4.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-isoquinolin-1-yl-3-(methylamino)propan-1-ol
CID 97167713
1-isoquinolin-1-ylpentylhydrazine
CID 105220521
1-isoquinolin-1-yl-N-propylpropan-1-amine
CID 63948250
1-isoquinolin-1-yl-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 79824265
2-(4-bromophenyl)-1-isoquinolin-1-yl-N-methylethanamine
CID 63948036
2-(4-fluorophenyl)-1-isoquinolin-1-yl-N-methylethanamine
CID 63950074
N,3-dimethyl-1-(6-methyl-2-pyridinyl)hexan-1-amine
CID 63553639
N,3-dimethyl-1-pyrimidin-4-ylhexan-1-amine
CID 63989784
3-methyl-N-propyl-1-quinolin-4-ylhexan-1-amine
CID 105137955
N-ethyl-1-isoquinolin-1-ylpent-3-yn-1-amine
CID 63950687
2-isoquinolin-1-yl-N,3-dimethylbutan-1-amine
CID 116995264
N,3-dimethyl-1-[2-(trifluoromethyl)phenyl]hexan-1-amine
CID 115845337

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-1-yl-N,3-dimethylhexan-1-amine?
The IUPAC name of 1-isoquinolin-1-yl-N,3-dimethylhexan-1-amine (CID 63948446) is 1-isoquinolin-1-yl-N,3-dimethylhexan-1-amine.
What is the SMILES notation for 1-isoquinolin-1-yl-N,3-dimethylhexan-1-amine?
The canonical SMILES for 1-isoquinolin-1-yl-N,3-dimethylhexan-1-amine is CCCC(C)CC(NC)c1nccc2ccccc12.
What is the InChIKey of 1-isoquinolin-1-yl-N,3-dimethylhexan-1-amine?
The InChIKey is VYJVPJHGDXHHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-4-7-13(2)12-16(18-3)17-15-9-6-5-8-14(15)10-11-19-17/h5-6,8-11,13,16,18H,4,7,12H2,1-3H3.
What are the key properties of 1-isoquinolin-1-yl-N,3-dimethylhexan-1-amine?
1-isoquinolin-1-yl-N,3-dimethylhexan-1-amine has a molecular weight of 256.39 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-1-yl-N,3-dimethylhexan-1-amine is sourced from PubChem (CID 63948446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).