N-methyl-1-(5-prop-2-ynoxy-2-pyridinyl)methanamine

C10H12N2O — CID 79776395

IUPACN-methyl-1-(5-prop-2-ynoxy-2-pyridinyl)methanamine
SMILESC#CCOc1ccc(CNC)nc1
InChIInChI=1S/C10H12N2O/c1-3-6-13-10-5-4-9(7-11-2)12-8-10/h1,4-5,8,11H,6-7H2,2H3
InChIKeyAHSBJAJSRVUHQX-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.81
Rot. Bonds4

About N-methyl-1-(5-prop-2-ynoxy-2-pyridinyl)methanamine

N-methyl-1-(5-prop-2-ynoxy-2-pyridinyl)methanamine (PubChem CID 79776395) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is N-methyl-1-(5-prop-2-ynoxy-2-pyridinyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-prop-2-ynoxy-2-pyridinyl)methanamine
PubChem CID79776395
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC NameN-methyl-1-(5-prop-2-ynoxy-2-pyridinyl)methanamine
SMILESC#CCOc1ccc(CNC)nc1
InChIInChI=1S/C10H12N2O/c1-3-6-13-10-5-4-9(7-11-2)12-8-10/h1,4-5,8,11H,6-7H2,2H3
InChIKeyAHSBJAJSRVUHQX-UHFFFAOYSA-N
XLogP0.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-prop-2-ynoxy-2-pyridinyl)methanamine
CID 79776533
N-methyl-1-(4-prop-2-ynoxyphenyl)methanamine
CID 60809338
1-(5-prop-2-ynoxy-2-pyridinyl)propan-2-amine
CID 79799433
N-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]methanamine
CID 79775957
1-(5-but-3-enoxy-2-pyridinyl)-N-methylmethanamine
CID 79775770
N-[(5-but-3-ynoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 79794973
1-[5-[(4-bromophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 79775958
1-[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 105402628
N,N-dimethyl-2-[[6-(methylaminomethyl)-3-pyridinyl]oxy]acetamide
CID 79776398
N-methyl-1-(3-prop-2-ynoxyphenyl)methanamine
CID 60883159
1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 79776321
N-methyl-1-[5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-2-pyridinyl]methanamine
CID 79775503

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-prop-2-ynoxy-2-pyridinyl)methanamine?
The IUPAC name of N-methyl-1-(5-prop-2-ynoxy-2-pyridinyl)methanamine (CID 79776395) is N-methyl-1-(5-prop-2-ynoxy-2-pyridinyl)methanamine.
What is the SMILES notation for N-methyl-1-(5-prop-2-ynoxy-2-pyridinyl)methanamine?
The canonical SMILES for N-methyl-1-(5-prop-2-ynoxy-2-pyridinyl)methanamine is C#CCOc1ccc(CNC)nc1.
What is the InChIKey of N-methyl-1-(5-prop-2-ynoxy-2-pyridinyl)methanamine?
The InChIKey is AHSBJAJSRVUHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-3-6-13-10-5-4-9(7-11-2)12-8-10/h1,4-5,8,11H,6-7H2,2H3.
What are the key properties of N-methyl-1-(5-prop-2-ynoxy-2-pyridinyl)methanamine?
N-methyl-1-(5-prop-2-ynoxy-2-pyridinyl)methanamine has a molecular weight of 176.22 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-prop-2-ynoxy-2-pyridinyl)methanamine is sourced from PubChem (CID 79776395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).