4,6-dimethoxy-3-methylundecane-3,5,9-triamine

C14H33N3O2 — CID 90736722

IUPAC4,6-dimethoxy-3-methylundecane-3,5,9-triamine
SMILESCCC(N)CCC(OC)C(N)C(OC)C(C)(N)CC
InChIInChI=1S/C14H33N3O2/c1-6-10(15)8-9-11(18-4)12(16)13(19-5)14(3,17)7-2/h10-13H,6-9,15-17H2,1-5H3
InChIKeyHXUCDMJUQONJCP-UHFFFAOYSA-N
MW275.44 g/mol
LogP0.99
Rot. Bonds10

About 4,6-dimethoxy-3-methylundecane-3,5,9-triamine

4,6-dimethoxy-3-methylundecane-3,5,9-triamine (PubChem CID 90736722) has the molecular formula C14H33N3O2 and a molecular weight of 275.44 g/mol. Its IUPAC name is 4,6-dimethoxy-3-methylundecane-3,5,9-triamine.

Molecular Properties

Compound Name4,6-dimethoxy-3-methylundecane-3,5,9-triamine
PubChem CID90736722
Molecular FormulaC14H33N3O2
Molecular Weight275.44 g/mol
Exact Mass275.26
IUPAC Name4,6-dimethoxy-3-methylundecane-3,5,9-triamine
SMILESCCC(N)CCC(OC)C(N)C(OC)C(C)(N)CC
InChIInChI=1S/C14H33N3O2/c1-6-10(15)8-9-11(18-4)12(16)13(19-5)14(3,17)7-2/h10-13H,6-9,15-17H2,1-5H3
InChIKeyHXUCDMJUQONJCP-UHFFFAOYSA-N
XLogP0.99
TPSA96.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-3-methylundecane-3,5,9-triamine?
The IUPAC name of 4,6-dimethoxy-3-methylundecane-3,5,9-triamine (CID 90736722) is 4,6-dimethoxy-3-methylundecane-3,5,9-triamine.
What is the SMILES notation for 4,6-dimethoxy-3-methylundecane-3,5,9-triamine?
The canonical SMILES for 4,6-dimethoxy-3-methylundecane-3,5,9-triamine is CCC(N)CCC(OC)C(N)C(OC)C(C)(N)CC.
What is the InChIKey of 4,6-dimethoxy-3-methylundecane-3,5,9-triamine?
The InChIKey is HXUCDMJUQONJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N3O2/c1-6-10(15)8-9-11(18-4)12(16)13(19-5)14(3,17)7-2/h10-13H,6-9,15-17H2,1-5H3.
What are the key properties of 4,6-dimethoxy-3-methylundecane-3,5,9-triamine?
4,6-dimethoxy-3-methylundecane-3,5,9-triamine has a molecular weight of 275.44 g/mol, XLogP of 0.99, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-3-methylundecane-3,5,9-triamine is sourced from PubChem (CID 90736722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).