N-methyl-1-(oxiran-2-yl)-N-(pyridin-2-ylmethyl)methanamine

C10H14N2O — CID 43564926

IUPACN-methyl-1-(oxiran-2-yl)-N-(pyridin-2-ylmethyl)methanamine
SMILESCN(Cc1ccccn1)CC1CO1
InChIInChI=1S/C10H14N2O/c1-12(7-10-8-13-10)6-9-4-2-3-5-11-9/h2-5,10H,6-8H2,1H3
InChIKeyHDNSAXZOYZIWDE-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.91
Rot. Bonds4

About N-methyl-1-(oxiran-2-yl)-N-(pyridin-2-ylmethyl)methanamine

N-methyl-1-(oxiran-2-yl)-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 43564926) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is N-methyl-1-(oxiran-2-yl)-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(oxiran-2-yl)-N-(pyridin-2-ylmethyl)methanamine
PubChem CID43564926
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC NameN-methyl-1-(oxiran-2-yl)-N-(pyridin-2-ylmethyl)methanamine
SMILESCN(Cc1ccccn1)CC1CO1
InChIInChI=1S/C10H14N2O/c1-12(7-10-8-13-10)6-9-4-2-3-5-11-9/h2-5,10H,6-8H2,1H3
InChIKeyHDNSAXZOYZIWDE-UHFFFAOYSA-N
XLogP0.91
TPSA28.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
4-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclohexan-1-ol
CID 115239884
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
N-methyl-2-morpholin-2-yl-N-(pyridin-2-ylmethyl)ethanamine
CID 66426851
2-(1,3-dioxan-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)ethanamine
CID 66475134
N-methyl-N-(pyridin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine
CID 94408610
1-[(2R)-1,4-dioxan-2-yl]-N-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanamine
CID 99931473
2,2,5,5-tetramethyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]oxolan-3-ol
CID 79930097
2-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclopentan-1-one
CID 62612535
2,2,5,5-tetramethyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]oxolan-3-one
CID 79933236
1-(4-bromophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine
CID 60712627
N,4-dimethyl-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 62616448

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxiran-2-yl)-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of N-methyl-1-(oxiran-2-yl)-N-(pyridin-2-ylmethyl)methanamine (CID 43564926) is N-methyl-1-(oxiran-2-yl)-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-(oxiran-2-yl)-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for N-methyl-1-(oxiran-2-yl)-N-(pyridin-2-ylmethyl)methanamine is CN(Cc1ccccn1)CC1CO1.
What is the InChIKey of N-methyl-1-(oxiran-2-yl)-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is HDNSAXZOYZIWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-12(7-10-8-13-10)6-9-4-2-3-5-11-9/h2-5,10H,6-8H2,1H3.
What are the key properties of N-methyl-1-(oxiran-2-yl)-N-(pyridin-2-ylmethyl)methanamine?
N-methyl-1-(oxiran-2-yl)-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 178.24 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxiran-2-yl)-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 43564926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).