2-cyclopropyl-N-[(2-methylquinolin-4-yl)methyl]ethanamine

C16H20N2 — CID 79033204

IUPAC2-cyclopropyl-N-[(2-methylquinolin-4-yl)methyl]ethanamine
SMILESCc1cc(CNCCC2CC2)c2ccccc2n1
InChIInChI=1S/C16H20N2/c1-12-10-14(11-17-9-8-13-6-7-13)15-4-2-3-5-16(15)18-12/h2-5,10,13,17H,6-9,11H2,1H3
InChIKeySCAVVFGTDKETPM-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.43
Rot. Bonds5

About 2-cyclopropyl-N-[(2-methylquinolin-4-yl)methyl]ethanamine

2-cyclopropyl-N-[(2-methylquinolin-4-yl)methyl]ethanamine (PubChem CID 79033204) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(2-methylquinolin-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-N-[(2-methylquinolin-4-yl)methyl]ethanamine
PubChem CID79033204
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name2-cyclopropyl-N-[(2-methylquinolin-4-yl)methyl]ethanamine
SMILESCc1cc(CNCCC2CC2)c2ccccc2n1
InChIInChI=1S/C16H20N2/c1-12-10-14(11-17-9-8-13-6-7-13)15-4-2-3-5-16(15)18-12/h2-5,10,13,17H,6-9,11H2,1H3
InChIKeySCAVVFGTDKETPM-UHFFFAOYSA-N
XLogP3.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-cyclopropyl-N-[(2-methylquinolin-4-yl)methyl]ethanamine 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

N-ethyl-N'-[(2-methylquinolin-4-yl)methyl]ethane-1,2-diamine
CID 113405208
4-ethyl-N-[(2-methylquinolin-4-yl)methyl]cyclohexan-1-amine
CID 78943048
N-[(2-methylquinolin-4-yl)methyl]-2-methylsulfonylethanamine
CID 78943321
1-(2-methylcyclopentyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
CID 107416963
N',N'-diethyl-N-[(2-methylquinolin-4-yl)methyl]propane-1,3-diamine
CID 78943020
2-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]ethanamine
CID 78942785
1-(2-chlorocyclopentyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
CID 79241209
ethyl 3-[(2-methylquinolin-4-yl)methylamino]propanoate
CID 79235448
1-(4-fluorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
CID 78978650
N-[(3-methyloxetan-3-yl)methyl]-1-(2-methylquinolin-4-yl)methanamine
CID 78957492
N-[(4-methyl-3-pyridinyl)methyl]-1-(2-methylquinolin-4-yl)methanamine
CID 114954791
2-cyclobutyl-N-(isoquinolin-4-ylmethyl)ethanamine
CID 115748530

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(2-methylquinolin-4-yl)methyl]ethanamine?
The IUPAC name of 2-cyclopropyl-N-[(2-methylquinolin-4-yl)methyl]ethanamine (CID 79033204) is 2-cyclopropyl-N-[(2-methylquinolin-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-cyclopropyl-N-[(2-methylquinolin-4-yl)methyl]ethanamine?
The canonical SMILES for 2-cyclopropyl-N-[(2-methylquinolin-4-yl)methyl]ethanamine is Cc1cc(CNCCC2CC2)c2ccccc2n1.
What is the InChIKey of 2-cyclopropyl-N-[(2-methylquinolin-4-yl)methyl]ethanamine?
The InChIKey is SCAVVFGTDKETPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-12-10-14(11-17-9-8-13-6-7-13)15-4-2-3-5-16(15)18-12/h2-5,10,13,17H,6-9,11H2,1H3.
What are the key properties of 2-cyclopropyl-N-[(2-methylquinolin-4-yl)methyl]ethanamine?
2-cyclopropyl-N-[(2-methylquinolin-4-yl)methyl]ethanamine has a molecular weight of 240.35 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(2-methylquinolin-4-yl)methyl]ethanamine is sourced from PubChem (CID 79033204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).