N,N'-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine

C10H22N2O — CID 61387223

IUPACN,N'-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine
SMILESCNCCCN(C)C1CCOCC1
InChIInChI=1S/C10H22N2O/c1-11-6-3-7-12(2)10-4-8-13-9-5-10/h10-11H,3-9H2,1-2H3
InChIKeyZOEJAMOPPVVLHO-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.71
Rot. Bonds5

About N,N'-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine

N,N'-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine (PubChem CID 61387223) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N,N'-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine
PubChem CID61387223
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN,N'-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine
SMILESCNCCCN(C)C1CCOCC1
InChIInChI=1S/C10H22N2O/c1-11-6-3-7-12(2)10-4-8-13-9-5-10/h10-11H,3-9H2,1-2H3
InChIKeyZOEJAMOPPVVLHO-UHFFFAOYSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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 N,N'-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine?
The IUPAC name of N,N'-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine (CID 61387223) is N,N'-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine?
The canonical SMILES for N,N'-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine is CNCCCN(C)C1CCOCC1.
What is the InChIKey of N,N'-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine?
The InChIKey is ZOEJAMOPPVVLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-11-6-3-7-12(2)10-4-8-13-9-5-10/h10-11H,3-9H2,1-2H3.
What are the key properties of N,N'-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine?
N,N'-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine has a molecular weight of 186.30 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine is sourced from PubChem (CID 61387223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).