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

C14H20N2 — CID 66046703

IUPAC2-(2-methylidenebutyl)-3,4-dihydro-1H-isoquinolin-5-amine
SMILESC=C(CC)CN1CCc2c(N)cccc2C1
InChIInChI=1S/C14H20N2/c1-3-11(2)9-16-8-7-13-12(10-16)5-4-6-14(13)15/h4-6H,2-3,7-10,15H2,1H3
InChIKeyAZIROOXEYRUWOF-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.59
Rot. Bonds3

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

2-(2-methylidenebutyl)-3,4-dihydro-1H-isoquinolin-5-amine (PubChem CID 66046703) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-(2-methylidenebutyl)-3,4-dihydro-1H-isoquinolin-5-amine.

Molecular Properties

Compound Name2-(2-methylidenebutyl)-3,4-dihydro-1H-isoquinolin-5-amine
PubChem CID66046703
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-(2-methylidenebutyl)-3,4-dihydro-1H-isoquinolin-5-amine
SMILESC=C(CC)CN1CCc2c(N)cccc2C1
InChIInChI=1S/C14H20N2/c1-3-11(2)9-16-8-7-13-12(10-16)5-4-6-14(13)15/h4-6H,2-3,7-10,15H2,1H3
InChIKeyAZIROOXEYRUWOF-UHFFFAOYSA-N
XLogP2.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylidenebutyl)-3,4-dihydro-1H-isoquinolin-5-amine?
The IUPAC name of 2-(2-methylidenebutyl)-3,4-dihydro-1H-isoquinolin-5-amine (CID 66046703) is 2-(2-methylidenebutyl)-3,4-dihydro-1H-isoquinolin-5-amine.
What is the SMILES notation for 2-(2-methylidenebutyl)-3,4-dihydro-1H-isoquinolin-5-amine?
The canonical SMILES for 2-(2-methylidenebutyl)-3,4-dihydro-1H-isoquinolin-5-amine is C=C(CC)CN1CCc2c(N)cccc2C1.
What is the InChIKey of 2-(2-methylidenebutyl)-3,4-dihydro-1H-isoquinolin-5-amine?
The InChIKey is AZIROOXEYRUWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-3-11(2)9-16-8-7-13-12(10-16)5-4-6-14(13)15/h4-6H,2-3,7-10,15H2,1H3.
What are the key properties of 2-(2-methylidenebutyl)-3,4-dihydro-1H-isoquinolin-5-amine?
2-(2-methylidenebutyl)-3,4-dihydro-1H-isoquinolin-5-amine has a molecular weight of 216.33 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylidenebutyl)-3,4-dihydro-1H-isoquinolin-5-amine is sourced from PubChem (CID 66046703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).