5-methoxy-1-N-methyl-1-N-(oxan-4-yl)pentane-1,2-diamine

C12H26N2O2 — CID 81101623

IUPAC5-methoxy-1-N-methyl-1-N-(oxan-4-yl)pentane-1,2-diamine
SMILESCOCCCC(N)CN(C)C1CCOCC1
InChIInChI=1S/C12H26N2O2/c1-14(12-5-8-16-9-6-12)10-11(13)4-3-7-15-2/h11-12H,3-10,13H2,1-2H3
InChIKeyYLEADAFULUPDFF-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.85
Rot. Bonds7

About 5-methoxy-1-N-methyl-1-N-(oxan-4-yl)pentane-1,2-diamine

5-methoxy-1-N-methyl-1-N-(oxan-4-yl)pentane-1,2-diamine (PubChem CID 81101623) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 5-methoxy-1-N-methyl-1-N-(oxan-4-yl)pentane-1,2-diamine.

Molecular Properties

Compound Name5-methoxy-1-N-methyl-1-N-(oxan-4-yl)pentane-1,2-diamine
PubChem CID81101623
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name5-methoxy-1-N-methyl-1-N-(oxan-4-yl)pentane-1,2-diamine
SMILESCOCCCC(N)CN(C)C1CCOCC1
InChIInChI=1S/C12H26N2O2/c1-14(12-5-8-16-9-6-12)10-11(13)4-3-7-15-2/h11-12H,3-10,13H2,1-2H3
InChIKeyYLEADAFULUPDFF-UHFFFAOYSA-N
XLogP0.85
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-N-methyl-1-N-(oxan-4-yl)pentane-1,2-diamine?
The IUPAC name of 5-methoxy-1-N-methyl-1-N-(oxan-4-yl)pentane-1,2-diamine (CID 81101623) is 5-methoxy-1-N-methyl-1-N-(oxan-4-yl)pentane-1,2-diamine.
What is the SMILES notation for 5-methoxy-1-N-methyl-1-N-(oxan-4-yl)pentane-1,2-diamine?
The canonical SMILES for 5-methoxy-1-N-methyl-1-N-(oxan-4-yl)pentane-1,2-diamine is COCCCC(N)CN(C)C1CCOCC1.
What is the InChIKey of 5-methoxy-1-N-methyl-1-N-(oxan-4-yl)pentane-1,2-diamine?
The InChIKey is YLEADAFULUPDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-14(12-5-8-16-9-6-12)10-11(13)4-3-7-15-2/h11-12H,3-10,13H2,1-2H3.
What are the key properties of 5-methoxy-1-N-methyl-1-N-(oxan-4-yl)pentane-1,2-diamine?
5-methoxy-1-N-methyl-1-N-(oxan-4-yl)pentane-1,2-diamine has a molecular weight of 230.35 g/mol, XLogP of 0.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-N-methyl-1-N-(oxan-4-yl)pentane-1,2-diamine is sourced from PubChem (CID 81101623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).