5-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-4-methylpentan-1-amine

C17H25NO2 — CID 57057151

IUPAC5-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-4-methylpentan-1-amine
SMILESCC(CCCN)CC1=COC=C(CC2=CC=CCC2)O1
InChIInChI=1S/C17H25NO2/c1-14(6-5-9-18)10-16-12-19-13-17(20-16)11-15-7-3-2-4-8-15/h2-3,7,12-14H,4-6,8-11,18H2,1H3
InChIKeyXVKRVRRFZBCOAX-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.15
Rot. Bonds7

About 5-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-4-methylpentan-1-amine

5-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-4-methylpentan-1-amine (PubChem CID 57057151) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 5-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-4-methylpentan-1-amine.

Molecular Properties

Compound Name5-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-4-methylpentan-1-amine
PubChem CID57057151
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name5-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-4-methylpentan-1-amine
SMILESCC(CCCN)CC1=COC=C(CC2=CC=CCC2)O1
InChIInChI=1S/C17H25NO2/c1-14(6-5-9-18)10-16-12-19-13-17(20-16)11-15-7-3-2-4-8-15/h2-3,7,12-14H,4-6,8-11,18H2,1H3
InChIKeyXVKRVRRFZBCOAX-UHFFFAOYSA-N
XLogP4.15
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-4-methylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Cyclohexa-1,3-dien-1-yl-3-(1,4-dioxin-2-yl)propan-1-amine
CID 69136576
5-(6-Cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-4-methylpentan-1-amine;hydrochloride
CID 69144235
2-(7-Methoxy-8,8a-dihydronaphthalen-1-yl)ethanamine
CID 89509531
2-[6-(Cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethanamine
CID 91253538
4-Cyclohexa-1,3-dien-1-yl-3-(1,4-dioxin-2-yl)butan-1-amine
CID 91534886
3-[(1S)-5-(2-propylpentoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine
CID 130373101
3-[5-(Cyclohexylmethoxy)cyclohexa-2,4-dien-1-yl]butan-1-amine
CID 130373131
3-[5-(2-Ethylbutoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine
CID 130373189
3-[5-(cyclohexylmethoxy)cyclohexa-2,4-dien-1-yl]-N-methylpropan-1-amine
CID 130373192
3-[5-(2-Propylpentoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine
CID 130373211
(2R)-3-[5-(cyclohexylmethoxy)cyclohexa-2,4-dien-1-yl]-2-methylpropan-1-amine
CID 130373329
3-[5-(4-Methoxybutoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine
CID 130373348

Frequently Asked Questions

What is the IUPAC name of 5-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-4-methylpentan-1-amine?
The IUPAC name of 5-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-4-methylpentan-1-amine (CID 57057151) is 5-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-4-methylpentan-1-amine.
What is the SMILES notation for 5-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-4-methylpentan-1-amine?
The canonical SMILES for 5-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-4-methylpentan-1-amine is CC(CCCN)CC1=COC=C(CC2=CC=CCC2)O1.
What is the InChIKey of 5-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-4-methylpentan-1-amine?
The InChIKey is XVKRVRRFZBCOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-14(6-5-9-18)10-16-12-19-13-17(20-16)11-15-7-3-2-4-8-15/h2-3,7,12-14H,4-6,8-11,18H2,1H3.
What are the key properties of 5-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-4-methylpentan-1-amine?
5-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-4-methylpentan-1-amine has a molecular weight of 275.39 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-4-methylpentan-1-amine is sourced from PubChem (CID 57057151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).