2-N,2,5-trimethyl-2-N-(oxan-3-ylmethyl)hexane-1,2-diamine

C15H32N2O — CID 63725070

IUPAC2-N,2,5-trimethyl-2-N-(oxan-3-ylmethyl)hexane-1,2-diamine
SMILESCC(C)CCC(C)(CN)N(C)CC1CCCOC1
InChIInChI=1S/C15H32N2O/c1-13(2)7-8-15(3,12-16)17(4)10-14-6-5-9-18-11-14/h13-14H,5-12,16H2,1-4H3
InChIKeyWMOAYYRBWGFBDT-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.50
Rot. Bonds7

About 2-N,2,5-trimethyl-2-N-(oxan-3-ylmethyl)hexane-1,2-diamine

2-N,2,5-trimethyl-2-N-(oxan-3-ylmethyl)hexane-1,2-diamine (PubChem CID 63725070) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-N,2,5-trimethyl-2-N-(oxan-3-ylmethyl)hexane-1,2-diamine.

Molecular Properties

Compound Name2-N,2,5-trimethyl-2-N-(oxan-3-ylmethyl)hexane-1,2-diamine
PubChem CID63725070
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name2-N,2,5-trimethyl-2-N-(oxan-3-ylmethyl)hexane-1,2-diamine
SMILESCC(C)CCC(C)(CN)N(C)CC1CCCOC1
InChIInChI=1S/C15H32N2O/c1-13(2)7-8-15(3,12-16)17(4)10-14-6-5-9-18-11-14/h13-14H,5-12,16H2,1-4H3
InChIKeyWMOAYYRBWGFBDT-UHFFFAOYSA-N
XLogP2.50
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N,2,5-trimethyl-2-N-(oxan-3-ylmethyl)hexane-1,2-diamine?
The IUPAC name of 2-N,2,5-trimethyl-2-N-(oxan-3-ylmethyl)hexane-1,2-diamine (CID 63725070) is 2-N,2,5-trimethyl-2-N-(oxan-3-ylmethyl)hexane-1,2-diamine.
What is the SMILES notation for 2-N,2,5-trimethyl-2-N-(oxan-3-ylmethyl)hexane-1,2-diamine?
The canonical SMILES for 2-N,2,5-trimethyl-2-N-(oxan-3-ylmethyl)hexane-1,2-diamine is CC(C)CCC(C)(CN)N(C)CC1CCCOC1.
What is the InChIKey of 2-N,2,5-trimethyl-2-N-(oxan-3-ylmethyl)hexane-1,2-diamine?
The InChIKey is WMOAYYRBWGFBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-13(2)7-8-15(3,12-16)17(4)10-14-6-5-9-18-11-14/h13-14H,5-12,16H2,1-4H3.
What are the key properties of 2-N,2,5-trimethyl-2-N-(oxan-3-ylmethyl)hexane-1,2-diamine?
2-N,2,5-trimethyl-2-N-(oxan-3-ylmethyl)hexane-1,2-diamine has a molecular weight of 256.43 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2,5-trimethyl-2-N-(oxan-3-ylmethyl)hexane-1,2-diamine is sourced from PubChem (CID 63725070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).