2,5-dimethyl-6-(3-methylpenta-2,4-dienyl)oxan-3-amine

C13H23NO — CID 123152669

IUPAC2,5-dimethyl-6-(3-methylpenta-2,4-dienyl)oxan-3-amine
SMILESC=CC(C)=CCC1OC(C)C(N)CC1C
InChIInChI=1S/C13H23NO/c1-5-9(2)6-7-13-10(3)8-12(14)11(4)15-13/h5-6,10-13H,1,7-8,14H2,2-4H3
InChIKeyAOPCQJRVKRSNLB-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.65
Rot. Bonds3

About 2,5-dimethyl-6-(3-methylpenta-2,4-dienyl)oxan-3-amine

2,5-dimethyl-6-(3-methylpenta-2,4-dienyl)oxan-3-amine (PubChem CID 123152669) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2,5-dimethyl-6-(3-methylpenta-2,4-dienyl)oxan-3-amine.

Molecular Properties

Compound Name2,5-dimethyl-6-(3-methylpenta-2,4-dienyl)oxan-3-amine
PubChem CID123152669
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2,5-dimethyl-6-(3-methylpenta-2,4-dienyl)oxan-3-amine
SMILESC=CC(C)=CCC1OC(C)C(N)CC1C
InChIInChI=1S/C13H23NO/c1-5-9(2)6-7-13-10(3)8-12(14)11(4)15-13/h5-6,10-13H,1,7-8,14H2,2-4H3
InChIKeyAOPCQJRVKRSNLB-UHFFFAOYSA-N
XLogP2.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,5S,6S)-6-allyl-2,5-dimethyltetrahydro-2H-pyran-3-amine
CID 11521154
2-[(1R)-2,4,5-trifluorocyclohexa-2,4-dien-1-yl]oxane-3,5-diamine
CID 68371789
(2R)-2-(2,4,5-trifluorocyclohexa-2,4-dien-1-yl)oxane-3,5-diamine
CID 70842977
[(2S,6R)-6-(3-fluoro-4-methylcyclohexa-2,4-dien-1-yl)oxan-2-yl]methanamine
CID 134408199
(1R,2S)-3-fluoro-1-methoxy-1-(4-methylcyclohexa-2,4-dien-1-yl)propan-2-amine
CID 143418500
2-ethyl-3,4,4a,8a-tetrahydro-2H-chromen-3-amine
CID 53707556
2-methyl-3,4,4a,8a-tetrahydro-2H-chromen-3-amine
CID 53865212
(2S)-1-methoxy-3-[(5S)-5-methylcyclohexa-1,3-dien-1-yl]propan-2-amine
CID 68396138
(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-amine
CID 72707830
2,5-Dimethyl-6-prop-2-enyloxan-3-amine
CID 72993388
2-Ethylidene-1-(oxan-4-yl)pent-3-en-1-amine
CID 123827168
(2R,3R,6S)-2,5-dimethyl-6-prop-2-enyloxan-3-amine
CID 130848345

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-(3-methylpenta-2,4-dienyl)oxan-3-amine?
The IUPAC name of 2,5-dimethyl-6-(3-methylpenta-2,4-dienyl)oxan-3-amine (CID 123152669) is 2,5-dimethyl-6-(3-methylpenta-2,4-dienyl)oxan-3-amine.
What is the SMILES notation for 2,5-dimethyl-6-(3-methylpenta-2,4-dienyl)oxan-3-amine?
The canonical SMILES for 2,5-dimethyl-6-(3-methylpenta-2,4-dienyl)oxan-3-amine is C=CC(C)=CCC1OC(C)C(N)CC1C.
What is the InChIKey of 2,5-dimethyl-6-(3-methylpenta-2,4-dienyl)oxan-3-amine?
The InChIKey is AOPCQJRVKRSNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-9(2)6-7-13-10(3)8-12(14)11(4)15-13/h5-6,10-13H,1,7-8,14H2,2-4H3.
What are the key properties of 2,5-dimethyl-6-(3-methylpenta-2,4-dienyl)oxan-3-amine?
2,5-dimethyl-6-(3-methylpenta-2,4-dienyl)oxan-3-amine has a molecular weight of 209.33 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-(3-methylpenta-2,4-dienyl)oxan-3-amine is sourced from PubChem (CID 123152669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).