2-(aminomethyl)-N-ethyl-N-(2-methylprop-2-enyl)quinolin-4-amine

C16H21N3 — CID 63374388

IUPAC2-(aminomethyl)-N-ethyl-N-(2-methylprop-2-enyl)quinolin-4-amine
SMILESC=C(C)CN(CC)c1cc(CN)nc2ccccc12
InChIInChI=1S/C16H21N3/c1-4-19(11-12(2)3)16-9-13(10-17)18-15-8-6-5-7-14(15)16/h5-9H,2,4,10-11,17H2,1,3H3
InChIKeyPXHIWCRUZWVGBF-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.10
Rot. Bonds5

About 2-(aminomethyl)-N-ethyl-N-(2-methylprop-2-enyl)quinolin-4-amine

2-(aminomethyl)-N-ethyl-N-(2-methylprop-2-enyl)quinolin-4-amine (PubChem CID 63374388) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-ethyl-N-(2-methylprop-2-enyl)quinolin-4-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-ethyl-N-(2-methylprop-2-enyl)quinolin-4-amine
PubChem CID63374388
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name2-(aminomethyl)-N-ethyl-N-(2-methylprop-2-enyl)quinolin-4-amine
SMILESC=C(C)CN(CC)c1cc(CN)nc2ccccc12
InChIInChI=1S/C16H21N3/c1-4-19(11-12(2)3)16-9-13(10-17)18-15-8-6-5-7-14(15)16/h5-9H,2,4,10-11,17H2,1,3H3
InChIKeyPXHIWCRUZWVGBF-UHFFFAOYSA-N
XLogP3.10
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-ethyl-N-(2-methylprop-2-enyl)quinolin-4-amine?
The IUPAC name of 2-(aminomethyl)-N-ethyl-N-(2-methylprop-2-enyl)quinolin-4-amine (CID 63374388) is 2-(aminomethyl)-N-ethyl-N-(2-methylprop-2-enyl)quinolin-4-amine.
What is the SMILES notation for 2-(aminomethyl)-N-ethyl-N-(2-methylprop-2-enyl)quinolin-4-amine?
The canonical SMILES for 2-(aminomethyl)-N-ethyl-N-(2-methylprop-2-enyl)quinolin-4-amine is C=C(C)CN(CC)c1cc(CN)nc2ccccc12.
What is the InChIKey of 2-(aminomethyl)-N-ethyl-N-(2-methylprop-2-enyl)quinolin-4-amine?
The InChIKey is PXHIWCRUZWVGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-4-19(11-12(2)3)16-9-13(10-17)18-15-8-6-5-7-14(15)16/h5-9H,2,4,10-11,17H2,1,3H3.
What are the key properties of 2-(aminomethyl)-N-ethyl-N-(2-methylprop-2-enyl)quinolin-4-amine?
2-(aminomethyl)-N-ethyl-N-(2-methylprop-2-enyl)quinolin-4-amine has a molecular weight of 255.36 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-ethyl-N-(2-methylprop-2-enyl)quinolin-4-amine is sourced from PubChem (CID 63374388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).