1-N,2-N-dimethyl-1-N-(oxan-4-yl)propane-1,2-diamine

C10H22N2O — CID 55208484

IUPAC1-N,2-N-dimethyl-1-N-(oxan-4-yl)propane-1,2-diamine
SMILESCNC(C)CN(C)C1CCOCC1
InChIInChI=1S/C10H22N2O/c1-9(11-2)8-12(3)10-4-6-13-7-5-10/h9-11H,4-8H2,1-3H3
InChIKeyMXXTUWDOWLARJR-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.71
Rot. Bonds4

About 1-N,2-N-dimethyl-1-N-(oxan-4-yl)propane-1,2-diamine

1-N,2-N-dimethyl-1-N-(oxan-4-yl)propane-1,2-diamine (PubChem CID 55208484) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-N,2-N-dimethyl-1-N-(oxan-4-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-dimethyl-1-N-(oxan-4-yl)propane-1,2-diamine
PubChem CID55208484
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name1-N,2-N-dimethyl-1-N-(oxan-4-yl)propane-1,2-diamine
SMILESCNC(C)CN(C)C1CCOCC1
InChIInChI=1S/C10H22N2O/c1-9(11-2)8-12(3)10-4-6-13-7-5-10/h9-11H,4-8H2,1-3H3
InChIKeyMXXTUWDOWLARJR-UHFFFAOYSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-dimethyl-1-N-(oxan-4-yl)propane-1,2-diamine?
The IUPAC name of 1-N,2-N-dimethyl-1-N-(oxan-4-yl)propane-1,2-diamine (CID 55208484) is 1-N,2-N-dimethyl-1-N-(oxan-4-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-dimethyl-1-N-(oxan-4-yl)propane-1,2-diamine?
The canonical SMILES for 1-N,2-N-dimethyl-1-N-(oxan-4-yl)propane-1,2-diamine is CNC(C)CN(C)C1CCOCC1.
What is the InChIKey of 1-N,2-N-dimethyl-1-N-(oxan-4-yl)propane-1,2-diamine?
The InChIKey is MXXTUWDOWLARJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-9(11-2)8-12(3)10-4-6-13-7-5-10/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-N,2-N-dimethyl-1-N-(oxan-4-yl)propane-1,2-diamine?
1-N,2-N-dimethyl-1-N-(oxan-4-yl)propane-1,2-diamine has a molecular weight of 186.30 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-dimethyl-1-N-(oxan-4-yl)propane-1,2-diamine is sourced from PubChem (CID 55208484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).