2-(3-methylcyclobutyl)-3,4-dihydro-1H-isoquinolin-5-amine

C14H20N2 — CID 103563697

IUPAC2-(3-methylcyclobutyl)-3,4-dihydro-1H-isoquinolin-5-amine
SMILESCC1CC(N2CCc3c(N)cccc3C2)C1
InChIInChI=1S/C14H20N2/c1-10-7-12(8-10)16-6-5-13-11(9-16)3-2-4-14(13)15/h2-4,10,12H,5-9,15H2,1H3
InChIKeyCAXSZKJWKLIBSZ-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.43
Rot. Bonds1

About 2-(3-methylcyclobutyl)-3,4-dihydro-1H-isoquinolin-5-amine

2-(3-methylcyclobutyl)-3,4-dihydro-1H-isoquinolin-5-amine (PubChem CID 103563697) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-(3-methylcyclobutyl)-3,4-dihydro-1H-isoquinolin-5-amine.

Molecular Properties

Compound Name2-(3-methylcyclobutyl)-3,4-dihydro-1H-isoquinolin-5-amine
PubChem CID103563697
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-(3-methylcyclobutyl)-3,4-dihydro-1H-isoquinolin-5-amine
SMILESCC1CC(N2CCc3c(N)cccc3C2)C1
InChIInChI=1S/C14H20N2/c1-10-7-12(8-10)16-6-5-13-11(9-16)3-2-4-14(13)15/h2-4,10,12H,5-9,15H2,1H3
InChIKeyCAXSZKJWKLIBSZ-UHFFFAOYSA-N
XLogP2.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxycyclobutyl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 106822833
2-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 61017555
2-[3-(2-methylpropyl)cyclohexyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 107429453
2-(3-methylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 61018845
2-(4-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-amine
CID 61017808
2-(2-propan-2-yloxan-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522189
2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 116531428
5-amino-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
CID 143544356
2-(2-methylcyclopentyl)-1,3-dihydroisoindol-4-amine
CID 63281550
2-(1,1-dioxothian-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522543
2-(1-ethylazepan-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522276
2-(2,2-dimethyloxan-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522652

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclobutyl)-3,4-dihydro-1H-isoquinolin-5-amine?
The IUPAC name of 2-(3-methylcyclobutyl)-3,4-dihydro-1H-isoquinolin-5-amine (CID 103563697) is 2-(3-methylcyclobutyl)-3,4-dihydro-1H-isoquinolin-5-amine.
What is the SMILES notation for 2-(3-methylcyclobutyl)-3,4-dihydro-1H-isoquinolin-5-amine?
The canonical SMILES for 2-(3-methylcyclobutyl)-3,4-dihydro-1H-isoquinolin-5-amine is CC1CC(N2CCc3c(N)cccc3C2)C1.
What is the InChIKey of 2-(3-methylcyclobutyl)-3,4-dihydro-1H-isoquinolin-5-amine?
The InChIKey is CAXSZKJWKLIBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-10-7-12(8-10)16-6-5-13-11(9-16)3-2-4-14(13)15/h2-4,10,12H,5-9,15H2,1H3.
What are the key properties of 2-(3-methylcyclobutyl)-3,4-dihydro-1H-isoquinolin-5-amine?
2-(3-methylcyclobutyl)-3,4-dihydro-1H-isoquinolin-5-amine has a molecular weight of 216.33 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclobutyl)-3,4-dihydro-1H-isoquinolin-5-amine is sourced from PubChem (CID 103563697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).