N-cyclopentyl-N-ethyl-4-(methylaminomethyl)quinolin-2-amine

C18H25N3 — CID 62280967

IUPACN-cyclopentyl-N-ethyl-4-(methylaminomethyl)quinolin-2-amine
SMILESCCN(c1cc(CNC)c2ccccc2n1)C1CCCC1
InChIInChI=1S/C18H25N3/c1-3-21(15-8-4-5-9-15)18-12-14(13-19-2)16-10-6-7-11-17(16)20-18/h6-7,10-12,15,19H,3-5,8-9,13H2,1-2H3
InChIKeyOCMCEHCEZORUJU-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.72
Rot. Bonds5

About N-cyclopentyl-N-ethyl-4-(methylaminomethyl)quinolin-2-amine

N-cyclopentyl-N-ethyl-4-(methylaminomethyl)quinolin-2-amine (PubChem CID 62280967) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-cyclopentyl-N-ethyl-4-(methylaminomethyl)quinolin-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-N-ethyl-4-(methylaminomethyl)quinolin-2-amine
PubChem CID62280967
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-cyclopentyl-N-ethyl-4-(methylaminomethyl)quinolin-2-amine
SMILESCCN(c1cc(CNC)c2ccccc2n1)C1CCCC1
InChIInChI=1S/C18H25N3/c1-3-21(15-8-4-5-9-15)18-12-14(13-19-2)16-10-6-7-11-17(16)20-18/h6-7,10-12,15,19H,3-5,8-9,13H2,1-2H3
InChIKeyOCMCEHCEZORUJU-UHFFFAOYSA-N
XLogP3.72
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-ethyl-4-(methylaminomethyl)quinolin-2-amine?
The IUPAC name of N-cyclopentyl-N-ethyl-4-(methylaminomethyl)quinolin-2-amine (CID 62280967) is N-cyclopentyl-N-ethyl-4-(methylaminomethyl)quinolin-2-amine.
What is the SMILES notation for N-cyclopentyl-N-ethyl-4-(methylaminomethyl)quinolin-2-amine?
The canonical SMILES for N-cyclopentyl-N-ethyl-4-(methylaminomethyl)quinolin-2-amine is CCN(c1cc(CNC)c2ccccc2n1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-ethyl-4-(methylaminomethyl)quinolin-2-amine?
The InChIKey is OCMCEHCEZORUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-3-21(15-8-4-5-9-15)18-12-14(13-19-2)16-10-6-7-11-17(16)20-18/h6-7,10-12,15,19H,3-5,8-9,13H2,1-2H3.
What are the key properties of N-cyclopentyl-N-ethyl-4-(methylaminomethyl)quinolin-2-amine?
N-cyclopentyl-N-ethyl-4-(methylaminomethyl)quinolin-2-amine has a molecular weight of 283.42 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-ethyl-4-(methylaminomethyl)quinolin-2-amine is sourced from PubChem (CID 62280967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).