3,3-dimethyldioxane;N-methylmethanamine;undecane-1,11-diamine

C19H45N3O2 — CID 88787661

IUPAC3,3-dimethyldioxane;N-methylmethanamine;undecane-1,11-diamine
SMILESCC1(C)CCCOO1.CNC.NCCCCCCCCCCCN
InChIInChI=1S/C11H26N2.C6H12O2.C2H7N/c12-10-8-6-4-2-1-3-5-7-9-11-13;1-6(2)4-3-5-7-8-6;1-3-2/h1-13H2;3-5H2,1-2H3;3H,1-2H3
InChIKeySQHNBOPPFIEHGD-UHFFFAOYSA-N
MW347.59 g/mol
LogP3.76
Rot. Bonds10

About 3,3-dimethyldioxane;N-methylmethanamine;undecane-1,11-diamine

3,3-dimethyldioxane;N-methylmethanamine;undecane-1,11-diamine (PubChem CID 88787661) has the molecular formula C19H45N3O2 and a molecular weight of 347.59 g/mol. Its IUPAC name is 3,3-dimethyldioxane;N-methylmethanamine;undecane-1,11-diamine.

Molecular Properties

Compound Name3,3-dimethyldioxane;N-methylmethanamine;undecane-1,11-diamine
PubChem CID88787661
Molecular FormulaC19H45N3O2
Molecular Weight347.59 g/mol
Exact Mass347.35
IUPAC Name3,3-dimethyldioxane;N-methylmethanamine;undecane-1,11-diamine
SMILESCC1(C)CCCOO1.CNC.NCCCCCCCCCCCN
InChIInChI=1S/C11H26N2.C6H12O2.C2H7N/c12-10-8-6-4-2-1-3-5-7-9-11-13;1-6(2)4-3-5-7-8-6;1-3-2/h1-13H2;3-5H2,1-2H3;3H,1-2H3
InChIKeySQHNBOPPFIEHGD-UHFFFAOYSA-N
XLogP3.76
TPSA82.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.59
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyldioxane;N-methylmethanamine;undecane-1,11-diamine?
The IUPAC name of 3,3-dimethyldioxane;N-methylmethanamine;undecane-1,11-diamine (CID 88787661) is 3,3-dimethyldioxane;N-methylmethanamine;undecane-1,11-diamine.
What is the SMILES notation for 3,3-dimethyldioxane;N-methylmethanamine;undecane-1,11-diamine?
The canonical SMILES for 3,3-dimethyldioxane;N-methylmethanamine;undecane-1,11-diamine is CC1(C)CCCOO1.CNC.NCCCCCCCCCCCN.
What is the InChIKey of 3,3-dimethyldioxane;N-methylmethanamine;undecane-1,11-diamine?
The InChIKey is SQHNBOPPFIEHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2.C6H12O2.C2H7N/c12-10-8-6-4-2-1-3-5-7-9-11-13;1-6(2)4-3-5-7-8-6;1-3-2/h1-13H2;3-5H2,1-2H3;3H,1-2H3.
What are the key properties of 3,3-dimethyldioxane;N-methylmethanamine;undecane-1,11-diamine?
3,3-dimethyldioxane;N-methylmethanamine;undecane-1,11-diamine has a molecular weight of 347.59 g/mol, XLogP of 3.76, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyldioxane;N-methylmethanamine;undecane-1,11-diamine is sourced from PubChem (CID 88787661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).