1-(3-methoxyoxiran-2-yl)-N,2-dimethylpropan-1-amine

C8H17NO2 — CID 91055081

IUPAC1-(3-methoxyoxiran-2-yl)-N,2-dimethylpropan-1-amine
SMILESCNC(C(C)C)C1OC1OC
InChIInChI=1S/C8H17NO2/c1-5(2)6(9-3)7-8(10-4)11-7/h5-9H,1-4H3
InChIKeySAYOYVNXYZOMDA-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.60
Rot. Bonds4

About 1-(3-methoxyoxiran-2-yl)-N,2-dimethylpropan-1-amine

1-(3-methoxyoxiran-2-yl)-N,2-dimethylpropan-1-amine (PubChem CID 91055081) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 1-(3-methoxyoxiran-2-yl)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(3-methoxyoxiran-2-yl)-N,2-dimethylpropan-1-amine
PubChem CID91055081
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name1-(3-methoxyoxiran-2-yl)-N,2-dimethylpropan-1-amine
SMILESCNC(C(C)C)C1OC1OC
InChIInChI=1S/C8H17NO2/c1-5(2)6(9-3)7-8(10-4)11-7/h5-9H,1-4H3
InChIKeySAYOYVNXYZOMDA-UHFFFAOYSA-N
XLogP0.60
TPSA33.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.60
H-Bond Donors ≤ 51
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-(3-propan-2-yloxiran-2-yl)ethanamine
CID 167005290
CID 66828495
CID 66828495
(2S,3S)-6-(1-aminoethyl)-4,5-difluoro-2-methoxyoxan-3-amine;ethane
CID 167667741
(1R,2R,4R,5S)-2,4-dimethoxy-3,6-dioxabicyclo[3.1.0]hexane
CID 129368437
4,5-dimethoxy-2-methyl-1,3-dioxolane
CID 66843015
(2R,3S,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-methoxyoxolane-3,4-diol
CID 130444434
N,2-dimethyl-1-(4-propan-2-ylcycloheptyl)propan-1-amine
CID 79299262
[4-acetyloxy-2-(1-acetyloxyethyl)-5-methoxyoxolan-3-yl] acetate
CID 575602
2,3,4,5,6-pentamethoxyoxane
CID 568209
(2S,3R,4R,5S)-2,5-dimethoxyoxolane-3,4-diol
CID 99945935
(2R,3S,4S,5R)-2-[(1R)-1,2-dihydroxyethyl]-6-methoxyoxane-3,4,5-triol
CID 18664777
(2S,3S,4R,5R)-2-[(1R)-1,2-dimethoxyethyl]-3,4,5-trimethoxyoxolane
CID 22215467

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyoxiran-2-yl)-N,2-dimethylpropan-1-amine?
The IUPAC name of 1-(3-methoxyoxiran-2-yl)-N,2-dimethylpropan-1-amine (CID 91055081) is 1-(3-methoxyoxiran-2-yl)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(3-methoxyoxiran-2-yl)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(3-methoxyoxiran-2-yl)-N,2-dimethylpropan-1-amine is CNC(C(C)C)C1OC1OC.
What is the InChIKey of 1-(3-methoxyoxiran-2-yl)-N,2-dimethylpropan-1-amine?
The InChIKey is SAYOYVNXYZOMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-5(2)6(9-3)7-8(10-4)11-7/h5-9H,1-4H3.
What are the key properties of 1-(3-methoxyoxiran-2-yl)-N,2-dimethylpropan-1-amine?
1-(3-methoxyoxiran-2-yl)-N,2-dimethylpropan-1-amine has a molecular weight of 159.23 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyoxiran-2-yl)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 91055081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).