1-(1,4-dioxan-2-yl)-4-methoxy-N,4-dimethylpentan-1-amine

C12H25NO3 — CID 103031578

IUPAC1-(1,4-dioxan-2-yl)-4-methoxy-N,4-dimethylpentan-1-amine
SMILESCNC(CCC(C)(C)OC)C1COCCO1
InChIInChI=1S/C12H25NO3/c1-12(2,14-4)6-5-10(13-3)11-9-15-7-8-16-11/h10-11,13H,5-9H2,1-4H3
InChIKeyHPTGENKJJCLNKM-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.20
Rot. Bonds6

About 1-(1,4-dioxan-2-yl)-4-methoxy-N,4-dimethylpentan-1-amine

1-(1,4-dioxan-2-yl)-4-methoxy-N,4-dimethylpentan-1-amine (PubChem CID 103031578) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-4-methoxy-N,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-4-methoxy-N,4-dimethylpentan-1-amine
PubChem CID103031578
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name1-(1,4-dioxan-2-yl)-4-methoxy-N,4-dimethylpentan-1-amine
SMILESCNC(CCC(C)(C)OC)C1COCCO1
InChIInChI=1S/C12H25NO3/c1-12(2,14-4)6-5-10(13-3)11-9-15-7-8-16-11/h10-11,13H,5-9H2,1-4H3
InChIKeyHPTGENKJJCLNKM-UHFFFAOYSA-N
XLogP1.20
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-4-methoxy-N,4-dimethylpentan-1-amine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-4-methoxy-N,4-dimethylpentan-1-amine (CID 103031578) is 1-(1,4-dioxan-2-yl)-4-methoxy-N,4-dimethylpentan-1-amine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-4-methoxy-N,4-dimethylpentan-1-amine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-4-methoxy-N,4-dimethylpentan-1-amine is CNC(CCC(C)(C)OC)C1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-4-methoxy-N,4-dimethylpentan-1-amine?
The InChIKey is HPTGENKJJCLNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-12(2,14-4)6-5-10(13-3)11-9-15-7-8-16-11/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 1-(1,4-dioxan-2-yl)-4-methoxy-N,4-dimethylpentan-1-amine?
1-(1,4-dioxan-2-yl)-4-methoxy-N,4-dimethylpentan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-4-methoxy-N,4-dimethylpentan-1-amine is sourced from PubChem (CID 103031578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).