1-isoquinolin-1-yl-4-methoxy-4-methylpentan-1-amine

C16H22N2O — CID 103031360

IUPAC1-isoquinolin-1-yl-4-methoxy-4-methylpentan-1-amine
SMILESCOC(C)(C)CCC(N)c1nccc2ccccc12
InChIInChI=1S/C16H22N2O/c1-16(2,19-3)10-8-14(17)15-13-7-5-4-6-12(13)9-11-18-15/h4-7,9,11,14H,8,10,17H2,1-3H3
InChIKeyDPFBPINXEJDHGJ-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.44
Rot. Bonds5

About 1-isoquinolin-1-yl-4-methoxy-4-methylpentan-1-amine

1-isoquinolin-1-yl-4-methoxy-4-methylpentan-1-amine (PubChem CID 103031360) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-isoquinolin-1-yl-4-methoxy-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-isoquinolin-1-yl-4-methoxy-4-methylpentan-1-amine
PubChem CID103031360
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-isoquinolin-1-yl-4-methoxy-4-methylpentan-1-amine
SMILESCOC(C)(C)CCC(N)c1nccc2ccccc12
InChIInChI=1S/C16H22N2O/c1-16(2,19-3)10-8-14(17)15-13-7-5-4-6-12(13)9-11-18-15/h4-7,9,11,14H,8,10,17H2,1-3H3
InChIKeyDPFBPINXEJDHGJ-UHFFFAOYSA-N
XLogP3.44
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-4-methyl-1-naphthalen-1-ylpentan-1-amine
CID 103031528
1-isoquinolin-1-ylnonan-1-amine
CID 63948030
1-isoquinolin-1-yl-4-methylpent-4-en-1-amine
CID 114474755
1-isoquinolin-1-yl-3-methylsulfonylpropan-1-amine
CID 63950264
1-isoquinolin-1-yl-4-phenylbutan-1-amine
CID 63950465
2-(3-methoxy-3-methylbutoxy)-1-naphthalen-1-ylethanamine
CID 106665394
1-(2,3-dimethoxyphenyl)-4-methoxy-4-methylpentan-1-amine
CID 103031814
1-(2-ethylphenyl)-4-methoxy-4-methylpentan-1-amine
CID 103031433
[1-(3-chloro-2-pyridinyl)-4-methoxy-4-methylpentyl]hydrazine
CID 103445658
2-cyclopentyl-1-isoquinolin-1-ylethanamine
CID 63950469
(2R,3S)-3-isoquinolin-1-yl-2-phenylbutan-2-ol
CID 139121134
2-(4-iodophenyl)-1-isoquinolin-1-ylethanamine
CID 65476898

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-1-yl-4-methoxy-4-methylpentan-1-amine?
The IUPAC name of 1-isoquinolin-1-yl-4-methoxy-4-methylpentan-1-amine (CID 103031360) is 1-isoquinolin-1-yl-4-methoxy-4-methylpentan-1-amine.
What is the SMILES notation for 1-isoquinolin-1-yl-4-methoxy-4-methylpentan-1-amine?
The canonical SMILES for 1-isoquinolin-1-yl-4-methoxy-4-methylpentan-1-amine is COC(C)(C)CCC(N)c1nccc2ccccc12.
What is the InChIKey of 1-isoquinolin-1-yl-4-methoxy-4-methylpentan-1-amine?
The InChIKey is DPFBPINXEJDHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-16(2,19-3)10-8-14(17)15-13-7-5-4-6-12(13)9-11-18-15/h4-7,9,11,14H,8,10,17H2,1-3H3.
What are the key properties of 1-isoquinolin-1-yl-4-methoxy-4-methylpentan-1-amine?
1-isoquinolin-1-yl-4-methoxy-4-methylpentan-1-amine has a molecular weight of 258.36 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-1-yl-4-methoxy-4-methylpentan-1-amine is sourced from PubChem (CID 103031360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).