1-isoquinolin-5-yl-2-methylbutan-1-amine

C14H18N2 — CID 63719434

IUPAC1-isoquinolin-5-yl-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1cccc2cnccc12
InChIInChI=1S/C14H18N2/c1-3-10(2)14(15)13-6-4-5-11-9-16-8-7-12(11)13/h4-10,14H,3,15H2,1-2H3
InChIKeyWOEZEEABWPKHFM-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.28
Rot. Bonds3

About 1-isoquinolin-5-yl-2-methylbutan-1-amine

1-isoquinolin-5-yl-2-methylbutan-1-amine (PubChem CID 63719434) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-isoquinolin-5-yl-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-isoquinolin-5-yl-2-methylbutan-1-amine
PubChem CID63719434
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name1-isoquinolin-5-yl-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1cccc2cnccc12
InChIInChI=1S/C14H18N2/c1-3-10(2)14(15)13-6-4-5-11-9-16-8-7-12(11)13/h4-10,14H,3,15H2,1-2H3
InChIKeyWOEZEEABWPKHFM-UHFFFAOYSA-N
XLogP3.28
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-isoquinolin-5-yl-2-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-isoquinolin-5-ylpropan-1-amine
CID 55253697
1-isoquinolin-5-yl-2-methoxypropan-1-amine
CID 79617511
(1-isoquinolin-5-yl-2-methylbutyl)hydrazine
CID 105219729
(1R)-2-methyl-1-naphthalen-1-ylbutan-1-amine;hydrochloride
CID 171212055
2-ethoxy-1-isoquinolin-5-yl-3,3-dimethylbutan-1-amine
CID 116725171
1-isoquinolin-5-yl-2-methyl-N-propylbutan-1-amine
CID 55229984
(1S)-1-isoquinolin-5-ylethanol
CID 94831084
2-cyclopropyl-1-isoquinolin-5-yl-2-methoxyethanamine
CID 116721851
2-amino-2-isoquinolin-5-ylethanol
CID 55271452
N',N'-diethyl-1-isoquinolin-5-ylpropane-1,3-diamine
CID 79086923
1-isoquinolin-5-yl-2-propylsulfanylethanamine
CID 65128548
(2S)-1-isoquinolin-5-yloxypropan-2-amine
CID 69075857

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-5-yl-2-methylbutan-1-amine?
The IUPAC name of 1-isoquinolin-5-yl-2-methylbutan-1-amine (CID 63719434) is 1-isoquinolin-5-yl-2-methylbutan-1-amine.
What is the SMILES notation for 1-isoquinolin-5-yl-2-methylbutan-1-amine?
The canonical SMILES for 1-isoquinolin-5-yl-2-methylbutan-1-amine is CCC(C)C(N)c1cccc2cnccc12.
What is the InChIKey of 1-isoquinolin-5-yl-2-methylbutan-1-amine?
The InChIKey is WOEZEEABWPKHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-3-10(2)14(15)13-6-4-5-11-9-16-8-7-12(11)13/h4-10,14H,3,15H2,1-2H3.
What are the key properties of 1-isoquinolin-5-yl-2-methylbutan-1-amine?
1-isoquinolin-5-yl-2-methylbutan-1-amine has a molecular weight of 214.31 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-5-yl-2-methylbutan-1-amine is sourced from PubChem (CID 63719434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).