2,2-dimethyl-1-(oxan-4-yl)propane-1,3-diamine

C10H22N2O — CID 116933491

IUPAC2,2-dimethyl-1-(oxan-4-yl)propane-1,3-diamine
SMILESCC(C)(CN)C(N)C1CCOCC1
InChIInChI=1S/C10H22N2O/c1-10(2,7-11)9(12)8-3-5-13-6-4-8/h8-9H,3-7,11-12H2,1-2H3
InChIKeyKEOHWSJRWPHAQH-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.73
Rot. Bonds3

About 2,2-dimethyl-1-(oxan-4-yl)propane-1,3-diamine

2,2-dimethyl-1-(oxan-4-yl)propane-1,3-diamine (PubChem CID 116933491) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 2,2-dimethyl-1-(oxan-4-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-dimethyl-1-(oxan-4-yl)propane-1,3-diamine
PubChem CID116933491
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name2,2-dimethyl-1-(oxan-4-yl)propane-1,3-diamine
SMILESCC(C)(CN)C(N)C1CCOCC1
InChIInChI=1S/C10H22N2O/c1-10(2,7-11)9(12)8-3-5-13-6-4-8/h8-9H,3-7,11-12H2,1-2H3
InChIKeyKEOHWSJRWPHAQH-UHFFFAOYSA-N
XLogP0.73
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(oxan-4-yl)propane-1,3-diamine?
The IUPAC name of 2,2-dimethyl-1-(oxan-4-yl)propane-1,3-diamine (CID 116933491) is 2,2-dimethyl-1-(oxan-4-yl)propane-1,3-diamine.
What is the SMILES notation for 2,2-dimethyl-1-(oxan-4-yl)propane-1,3-diamine?
The canonical SMILES for 2,2-dimethyl-1-(oxan-4-yl)propane-1,3-diamine is CC(C)(CN)C(N)C1CCOCC1.
What is the InChIKey of 2,2-dimethyl-1-(oxan-4-yl)propane-1,3-diamine?
The InChIKey is KEOHWSJRWPHAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-10(2,7-11)9(12)8-3-5-13-6-4-8/h8-9H,3-7,11-12H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-(oxan-4-yl)propane-1,3-diamine?
2,2-dimethyl-1-(oxan-4-yl)propane-1,3-diamine has a molecular weight of 186.30 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(oxan-4-yl)propane-1,3-diamine is sourced from PubChem (CID 116933491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).