1-(4-methoxyoxan-4-yl)-N-methylprop-2-en-1-amine

C10H19NO2 — CID 116764621

IUPAC1-(4-methoxyoxan-4-yl)-N-methylprop-2-en-1-amine
SMILESC=CC(NC)C1(OC)CCOCC1
InChIInChI=1S/C10H19NO2/c1-4-9(11-2)10(12-3)5-7-13-8-6-10/h4,9,11H,1,5-8H2,2-3H3
InChIKeyCIZRCSADCXVNBR-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.96
Rot. Bonds4

About 1-(4-methoxyoxan-4-yl)-N-methylprop-2-en-1-amine

1-(4-methoxyoxan-4-yl)-N-methylprop-2-en-1-amine (PubChem CID 116764621) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(4-methoxyoxan-4-yl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(4-methoxyoxan-4-yl)-N-methylprop-2-en-1-amine
PubChem CID116764621
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-(4-methoxyoxan-4-yl)-N-methylprop-2-en-1-amine
SMILESC=CC(NC)C1(OC)CCOCC1
InChIInChI=1S/C10H19NO2/c1-4-9(11-2)10(12-3)5-7-13-8-6-10/h4,9,11H,1,5-8H2,2-3H3
InChIKeyCIZRCSADCXVNBR-UHFFFAOYSA-N
XLogP0.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.96
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

(4R)-4-[(2S)-2-methoxypent-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine
CID 90727869
N-methyl-1-(oxan-4-yl)prop-2-en-1-amine
CID 65589807
2-Ethyl-2,3-bis(prop-2-enyl)morpholine
CID 70503386
N-methyl-1-(2-methyloxan-2-yl)prop-2-en-1-amine
CID 80685201
1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 102648096
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
CID 102648097
1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine
CID 102648098
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-N,2-dimethylbutan-1-amine
CID 102648100
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
CID 102648101
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine
CID 102648103
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine
CID 102648105
1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine
CID 102648119

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyoxan-4-yl)-N-methylprop-2-en-1-amine?
The IUPAC name of 1-(4-methoxyoxan-4-yl)-N-methylprop-2-en-1-amine (CID 116764621) is 1-(4-methoxyoxan-4-yl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for 1-(4-methoxyoxan-4-yl)-N-methylprop-2-en-1-amine?
The canonical SMILES for 1-(4-methoxyoxan-4-yl)-N-methylprop-2-en-1-amine is C=CC(NC)C1(OC)CCOCC1.
What is the InChIKey of 1-(4-methoxyoxan-4-yl)-N-methylprop-2-en-1-amine?
The InChIKey is CIZRCSADCXVNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-9(11-2)10(12-3)5-7-13-8-6-10/h4,9,11H,1,5-8H2,2-3H3.
What are the key properties of 1-(4-methoxyoxan-4-yl)-N-methylprop-2-en-1-amine?
1-(4-methoxyoxan-4-yl)-N-methylprop-2-en-1-amine has a molecular weight of 185.27 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyoxan-4-yl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 116764621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).