1-(3-methylbut-2-enyl)-3,4-dihydro-2H-quinolin-4-amine

C14H20N2 — CID 107899389

IUPAC1-(3-methylbut-2-enyl)-3,4-dihydro-2H-quinolin-4-amine
SMILESCC(C)=CCN1CCC(N)c2ccccc21
InChIInChI=1S/C14H20N2/c1-11(2)7-9-16-10-8-13(15)12-5-3-4-6-14(12)16/h3-7,13H,8-10,15H2,1-2H3
InChIKeyNMXDVRVDKWJIIG-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.86
Rot. Bonds2

About 1-(3-methylbut-2-enyl)-3,4-dihydro-2H-quinolin-4-amine

1-(3-methylbut-2-enyl)-3,4-dihydro-2H-quinolin-4-amine (PubChem CID 107899389) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-3,4-dihydro-2H-quinolin-4-amine.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-3,4-dihydro-2H-quinolin-4-amine
PubChem CID107899389
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name1-(3-methylbut-2-enyl)-3,4-dihydro-2H-quinolin-4-amine
SMILESCC(C)=CCN1CCC(N)c2ccccc21
InChIInChI=1S/C14H20N2/c1-11(2)7-9-16-10-8-13(15)12-5-3-4-6-14(12)16/h3-7,13H,8-10,15H2,1-2H3
InChIKeyNMXDVRVDKWJIIG-UHFFFAOYSA-N
XLogP2.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-methylbut-2-enyl)-3,4-dihydro-2H-quinolin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enyl)-3,4-dihydro-2H-quinolin-4-amine?
The IUPAC name of 1-(3-methylbut-2-enyl)-3,4-dihydro-2H-quinolin-4-amine (CID 107899389) is 1-(3-methylbut-2-enyl)-3,4-dihydro-2H-quinolin-4-amine.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-3,4-dihydro-2H-quinolin-4-amine?
The canonical SMILES for 1-(3-methylbut-2-enyl)-3,4-dihydro-2H-quinolin-4-amine is CC(C)=CCN1CCC(N)c2ccccc21.
What is the InChIKey of 1-(3-methylbut-2-enyl)-3,4-dihydro-2H-quinolin-4-amine?
The InChIKey is NMXDVRVDKWJIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-11(2)7-9-16-10-8-13(15)12-5-3-4-6-14(12)16/h3-7,13H,8-10,15H2,1-2H3.
What are the key properties of 1-(3-methylbut-2-enyl)-3,4-dihydro-2H-quinolin-4-amine?
1-(3-methylbut-2-enyl)-3,4-dihydro-2H-quinolin-4-amine has a molecular weight of 216.33 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enyl)-3,4-dihydro-2H-quinolin-4-amine is sourced from PubChem (CID 107899389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).