2-ethylquinoline;N-methyl-1-quinolin-2-ylmethanamine;2-methyl-N-(quinolin-2-ylmethyl)propan-2-amine;N-(quinolin-2-ylmethyl)ethanamine;N-(quinolin-2-ylmethyl)propan-2-amine

C61H71N9 — CID 161454840

IUPAC2-ethylquinoline;N-methyl-1-quinolin-2-ylmethanamine;2-methyl-N-(quinolin-2-ylmethyl)propan-2-amine;N-(quinolin-2-ylmethyl)ethanamine;N-(quinolin-2-ylmethyl)propan-2-amine
SMILESCC(C)(C)NCc1ccc2ccccc2n1.CC(C)NCc1ccc2ccccc2n1.CCNCc1ccc2ccccc2n1.CCc1ccc2ccccc2n1.CNCc1ccc2ccccc2n1
InChIInChI=1S/C14H18N2.C13H16N2.C12H14N2.C11H12N2.C11H11N/c1-14(2,3)15-10-12-9-8-11-6-4-5-7-13(11)16-12;1-10(2)14-9-12-8-7-11-5-3-4-6-13(11)15-12;1-2-13-9-11-8-7-10-5-3-4-6-12(10)14-11;1-12-8-10-7-6-9-4-2-3-5-11(9)13-10;1-2-10-8-7-9-5-3-4-6-11(9)12-10/h4-9,15H,10H2,1-3H3;3-8,10,14H,9H2,1-2H3;3-8,13H,2,9H2,1H3;2-7,12H,8H2,1H3;3-8H,2H2,1H3
InChIKeyWBACHEOSZUYAQP-UHFFFAOYSA-N
MW930.30 g/mol
LogP12.95
Rot. Bonds11

About 2-ethylquinoline;N-methyl-1-quinolin-2-ylmethanamine;2-methyl-N-(quinolin-2-ylmethyl)propan-2-amine;N-(quinolin-2-ylmethyl)ethanamine;N-(quinolin-2-ylmethyl)propan-2-amine

2-ethylquinoline;N-methyl-1-quinolin-2-ylmethanamine;2-methyl-N-(quinolin-2-ylmethyl)propan-2-amine;N-(quinolin-2-ylmethyl)ethanamine;N-(quinolin-2-ylmethyl)propan-2-amine (PubChem CID 161454840) has the molecular formula C61H71N9 and a molecular weight of 930.30 g/mol. Its IUPAC name is 2-ethylquinoline;N-methyl-1-quinolin-2-ylmethanamine;2-methyl-N-(quinolin-2-ylmethyl)propan-2-amine;N-(quinolin-2-ylmethyl)ethanamine;N-(quinolin-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name2-ethylquinoline;N-methyl-1-quinolin-2-ylmethanamine;2-methyl-N-(quinolin-2-ylmethyl)propan-2-amine;N-(quinolin-2-ylmethyl)ethanamine;N-(quinolin-2-ylmethyl)propan-2-amine
PubChem CID161454840
Molecular FormulaC61H71N9
Molecular Weight930.30 g/mol
Exact Mass929.58
IUPAC Name2-ethylquinoline;N-methyl-1-quinolin-2-ylmethanamine;2-methyl-N-(quinolin-2-ylmethyl)propan-2-amine;N-(quinolin-2-ylmethyl)ethanamine;N-(quinolin-2-ylmethyl)propan-2-amine
SMILESCC(C)(C)NCc1ccc2ccccc2n1.CC(C)NCc1ccc2ccccc2n1.CCNCc1ccc2ccccc2n1.CCc1ccc2ccccc2n1.CNCc1ccc2ccccc2n1
InChIInChI=1S/C14H18N2.C13H16N2.C12H14N2.C11H12N2.C11H11N/c1-14(2,3)15-10-12-9-8-11-6-4-5-7-13(11)16-12;1-10(2)14-9-12-8-7-11-5-3-4-6-13(11)15-12;1-2-13-9-11-8-7-10-5-3-4-6-12(10)14-11;1-12-8-10-7-6-9-4-2-3-5-11(9)13-10;1-2-10-8-7-9-5-3-4-6-11(9)12-10/h4-9,15H,10H2,1-3H3;3-8,10,14H,9H2,1-2H3;3-8,13H,2,9H2,1H3;2-7,12H,8H2,1H3;3-8H,2H2,1H3
InChIKeyWBACHEOSZUYAQP-UHFFFAOYSA-N
XLogP12.95
TPSA112.57 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500930.30
LogP ≤ 512.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 2-ethylquinoline;N-methyl-1-quinolin-2-ylmethanamine;2-methyl-N-(quinolin-2-ylmethyl)propan-2-amine;N-(quinolin-2-ylmethyl)ethanamine;N-(quinolin-2-ylmethyl)propan-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-ethylquinoline;N-methyl-1-quinolin-2-ylmethanamine;2-methyl-N-(quinolin-2-ylmethyl)propan-2-amine;N-(quinolin-2-ylmethyl)ethanamine;N-(quinolin-2-ylmethyl)propan-2-amine?
The IUPAC name of 2-ethylquinoline;N-methyl-1-quinolin-2-ylmethanamine;2-methyl-N-(quinolin-2-ylmethyl)propan-2-amine;N-(quinolin-2-ylmethyl)ethanamine;N-(quinolin-2-ylmethyl)propan-2-amine (CID 161454840) is 2-ethylquinoline;N-methyl-1-quinolin-2-ylmethanamine;2-methyl-N-(quinolin-2-ylmethyl)propan-2-amine;N-(quinolin-2-ylmethyl)ethanamine;N-(quinolin-2-ylmethyl)propan-2-amine.
What is the SMILES notation for 2-ethylquinoline;N-methyl-1-quinolin-2-ylmethanamine;2-methyl-N-(quinolin-2-ylmethyl)propan-2-amine;N-(quinolin-2-ylmethyl)ethanamine;N-(quinolin-2-ylmethyl)propan-2-amine?
The canonical SMILES for 2-ethylquinoline;N-methyl-1-quinolin-2-ylmethanamine;2-methyl-N-(quinolin-2-ylmethyl)propan-2-amine;N-(quinolin-2-ylmethyl)ethanamine;N-(quinolin-2-ylmethyl)propan-2-amine is CC(C)(C)NCc1ccc2ccccc2n1.CC(C)NCc1ccc2ccccc2n1.CCNCc1ccc2ccccc2n1.CCc1ccc2ccccc2n1.CNCc1ccc2ccccc2n1.
What is the InChIKey of 2-ethylquinoline;N-methyl-1-quinolin-2-ylmethanamine;2-methyl-N-(quinolin-2-ylmethyl)propan-2-amine;N-(quinolin-2-ylmethyl)ethanamine;N-(quinolin-2-ylmethyl)propan-2-amine?
The InChIKey is WBACHEOSZUYAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2.C13H16N2.C12H14N2.C11H12N2.C11H11N/c1-14(2,3)15-10-12-9-8-11-6-4-5-7-13(11)16-12;1-10(2)14-9-12-8-7-11-5-3-4-6-13(11)15-12;1-2-13-9-11-8-7-10-5-3-4-6-12(10)14-11;1-12-8-10-7-6-9-4-2-3-5-11(9)13-10;1-2-10-8-7-9-5-3-4-6-11(9)12-10/h4-9,15H,10H2,1-3H3;3-8,10,14H,9H2,1-2H3;3-8,13H,2,9H2,1H3;2-7,12H,8H2,1H3;3-8H,2H2,1H3.
What are the key properties of 2-ethylquinoline;N-methyl-1-quinolin-2-ylmethanamine;2-methyl-N-(quinolin-2-ylmethyl)propan-2-amine;N-(quinolin-2-ylmethyl)ethanamine;N-(quinolin-2-ylmethyl)propan-2-amine?
2-ethylquinoline;N-methyl-1-quinolin-2-ylmethanamine;2-methyl-N-(quinolin-2-ylmethyl)propan-2-amine;N-(quinolin-2-ylmethyl)ethanamine;N-(quinolin-2-ylmethyl)propan-2-amine has a molecular weight of 930.30 g/mol, XLogP of 12.95, 11 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylquinoline;N-methyl-1-quinolin-2-ylmethanamine;2-methyl-N-(quinolin-2-ylmethyl)propan-2-amine;N-(quinolin-2-ylmethyl)ethanamine;N-(quinolin-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 161454840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).