N-(2-methoxyethyl)-N-[(6-methyl-2-pyridinyl)methyl]prop-2-yn-1-amine

C13H18N2O — CID 71988499

IUPACN-(2-methoxyethyl)-N-[(6-methyl-2-pyridinyl)methyl]prop-2-yn-1-amine
SMILESC#CCN(CCOC)Cc1cccc(C)n1
InChIInChI=1S/C13H18N2O/c1-4-8-15(9-10-16-3)11-13-7-5-6-12(2)14-13/h1,5-7H,8-11H2,2-3H3
InChIKeyDMXZUFUHUUTEQO-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.47
Rot. Bonds6

About N-(2-methoxyethyl)-N-[(6-methyl-2-pyridinyl)methyl]prop-2-yn-1-amine

N-(2-methoxyethyl)-N-[(6-methyl-2-pyridinyl)methyl]prop-2-yn-1-amine (PubChem CID 71988499) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[(6-methyl-2-pyridinyl)methyl]prop-2-yn-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[(6-methyl-2-pyridinyl)methyl]prop-2-yn-1-amine
PubChem CID71988499
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-(2-methoxyethyl)-N-[(6-methyl-2-pyridinyl)methyl]prop-2-yn-1-amine
SMILESC#CCN(CCOC)Cc1cccc(C)n1
InChIInChI=1S/C13H18N2O/c1-4-8-15(9-10-16-3)11-13-7-5-6-12(2)14-13/h1,5-7H,8-11H2,2-3H3
InChIKeyDMXZUFUHUUTEQO-UHFFFAOYSA-N
XLogP1.47
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[(6-methyl-2-pyridinyl)methyl]prop-2-yn-1-amine?
The IUPAC name of N-(2-methoxyethyl)-N-[(6-methyl-2-pyridinyl)methyl]prop-2-yn-1-amine (CID 71988499) is N-(2-methoxyethyl)-N-[(6-methyl-2-pyridinyl)methyl]prop-2-yn-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-N-[(6-methyl-2-pyridinyl)methyl]prop-2-yn-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-N-[(6-methyl-2-pyridinyl)methyl]prop-2-yn-1-amine is C#CCN(CCOC)Cc1cccc(C)n1.
What is the InChIKey of N-(2-methoxyethyl)-N-[(6-methyl-2-pyridinyl)methyl]prop-2-yn-1-amine?
The InChIKey is DMXZUFUHUUTEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-4-8-15(9-10-16-3)11-13-7-5-6-12(2)14-13/h1,5-7H,8-11H2,2-3H3.
What are the key properties of N-(2-methoxyethyl)-N-[(6-methyl-2-pyridinyl)methyl]prop-2-yn-1-amine?
N-(2-methoxyethyl)-N-[(6-methyl-2-pyridinyl)methyl]prop-2-yn-1-amine has a molecular weight of 218.30 g/mol, XLogP of 1.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[(6-methyl-2-pyridinyl)methyl]prop-2-yn-1-amine is sourced from PubChem (CID 71988499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).