N-methyl-2-(oxan-4-ylmethoxymethyl)prop-2-en-1-amine

C11H21NO2 — CID 103074742

IUPACN-methyl-2-(oxan-4-ylmethoxymethyl)prop-2-en-1-amine
SMILESC=C(CNC)COCC1CCOCC1
InChIInChI=1S/C11H21NO2/c1-10(7-12-2)8-14-9-11-3-5-13-6-4-11/h11-12H,1,3-9H2,2H3
InChIKeyXXTLYSOCZGPTFR-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.21
Rot. Bonds6

About N-methyl-2-(oxan-4-ylmethoxymethyl)prop-2-en-1-amine

N-methyl-2-(oxan-4-ylmethoxymethyl)prop-2-en-1-amine (PubChem CID 103074742) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-methyl-2-(oxan-4-ylmethoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-2-(oxan-4-ylmethoxymethyl)prop-2-en-1-amine
PubChem CID103074742
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-methyl-2-(oxan-4-ylmethoxymethyl)prop-2-en-1-amine
SMILESC=C(CNC)COCC1CCOCC1
InChIInChI=1S/C11H21NO2/c1-10(7-12-2)8-14-9-11-3-5-13-6-4-11/h11-12H,1,3-9H2,2H3
InChIKeyXXTLYSOCZGPTFR-UHFFFAOYSA-N
XLogP1.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine
CID 103074388
2-(2-ethylhexoxymethyl)-N-methylprop-2-en-1-amine
CID 103074537
N-ethyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine
CID 103074538
2-(4-methylpentoxymethyl)-N-propylprop-2-en-1-amine
CID 103074542
N-methyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine
CID 103074544
N-methyl-2-(pentoxymethyl)prop-2-en-1-amine
CID 103074639
N-methyl-2-(oxan-4-yloxymethyl)prop-2-en-1-amine
CID 103074690
N-methyl-2-(oxolan-3-ylmethoxymethyl)prop-2-en-1-amine
CID 103074697
N-ethyl-2-(oxan-4-ylmethoxymethyl)prop-2-en-1-amine
CID 103074737
N-[2-(oxan-4-ylmethoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074738
2-(oxan-4-ylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074739
2-(oxan-4-ylmethoxymethyl)-N-propylprop-2-en-1-amine
CID 103074740

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(oxan-4-ylmethoxymethyl)prop-2-en-1-amine?
The IUPAC name of N-methyl-2-(oxan-4-ylmethoxymethyl)prop-2-en-1-amine (CID 103074742) is N-methyl-2-(oxan-4-ylmethoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-methyl-2-(oxan-4-ylmethoxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-methyl-2-(oxan-4-ylmethoxymethyl)prop-2-en-1-amine is C=C(CNC)COCC1CCOCC1.
What is the InChIKey of N-methyl-2-(oxan-4-ylmethoxymethyl)prop-2-en-1-amine?
The InChIKey is XXTLYSOCZGPTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-10(7-12-2)8-14-9-11-3-5-13-6-4-11/h11-12H,1,3-9H2,2H3.
What are the key properties of N-methyl-2-(oxan-4-ylmethoxymethyl)prop-2-en-1-amine?
N-methyl-2-(oxan-4-ylmethoxymethyl)prop-2-en-1-amine has a molecular weight of 199.29 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(oxan-4-ylmethoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).