2,2-dimethyl-1-(oxan-4-yl)butane-1,4-diamine

C11H24N2O — CID 116934553

IUPAC2,2-dimethyl-1-(oxan-4-yl)butane-1,4-diamine
SMILESCC(C)(CCN)C(N)C1CCOCC1
InChIInChI=1S/C11H24N2O/c1-11(2,5-6-12)10(13)9-3-7-14-8-4-9/h9-10H,3-8,12-13H2,1-2H3
InChIKeyDOWNBIFAKGHOBR-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.12
Rot. Bonds4

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

2,2-dimethyl-1-(oxan-4-yl)butane-1,4-diamine (PubChem CID 116934553) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 2,2-dimethyl-1-(oxan-4-yl)butane-1,4-diamine.

Molecular Properties

Compound Name2,2-dimethyl-1-(oxan-4-yl)butane-1,4-diamine
PubChem CID116934553
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name2,2-dimethyl-1-(oxan-4-yl)butane-1,4-diamine
SMILESCC(C)(CCN)C(N)C1CCOCC1
InChIInChI=1S/C11H24N2O/c1-11(2,5-6-12)10(13)9-3-7-14-8-4-9/h9-10H,3-8,12-13H2,1-2H3
InChIKeyDOWNBIFAKGHOBR-UHFFFAOYSA-N
XLogP1.12
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-(oxan-4-yl)propane-1,3-diamine
CID 116933491
2-methyl-1-(oxan-4-yl)propane-1,2-diamine
CID 116932713
2-ethoxy-2-methyl-1-(oxan-4-yl)propan-1-amine
CID 116726362
4-amino-2,2-dimethyl-N-[1-(oxan-4-yl)ethyl]butanamide
CID 114285687
1-cyclopentyl-2,2-dimethylpropane-1,3-diamine
CID 116933489
1-(oxan-4-yl)propane-1,3-diamine
CID 116932858
2-methyl-1-(oxan-4-yl)-2-piperidin-1-ylpropan-1-amine
CID 79045089
2-[(2-methylpropan-2-yl)oxy]-1-(oxan-4-yl)ethanamine
CID 105147172
3-ethyl-3-(oxan-4-yl)pentan-1-amine
CID 83819180
2-amino-N-(2-methoxy-2-methylpropyl)-2-(oxan-4-yl)acetamide
CID 120793782
2-ethoxy-2-methyl-1-(oxolan-3-yl)propan-1-amine
CID 116726248
3-N,3-dimethyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine
CID 115134884

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(oxan-4-yl)butane-1,4-diamine?
The IUPAC name of 2,2-dimethyl-1-(oxan-4-yl)butane-1,4-diamine (CID 116934553) is 2,2-dimethyl-1-(oxan-4-yl)butane-1,4-diamine.
What is the SMILES notation for 2,2-dimethyl-1-(oxan-4-yl)butane-1,4-diamine?
The canonical SMILES for 2,2-dimethyl-1-(oxan-4-yl)butane-1,4-diamine is CC(C)(CCN)C(N)C1CCOCC1.
What is the InChIKey of 2,2-dimethyl-1-(oxan-4-yl)butane-1,4-diamine?
The InChIKey is DOWNBIFAKGHOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-11(2,5-6-12)10(13)9-3-7-14-8-4-9/h9-10H,3-8,12-13H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-(oxan-4-yl)butane-1,4-diamine?
2,2-dimethyl-1-(oxan-4-yl)butane-1,4-diamine has a molecular weight of 200.33 g/mol, XLogP of 1.12, 4 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)butane-1,4-diamine is sourced from PubChem (CID 116934553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).