N'-(2,2-dimethyloxan-4-yl)-N'-methylpropane-1,3-diamine

C11H24N2O — CID 115318769

IUPACN'-(2,2-dimethyloxan-4-yl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)C1CCOC(C)(C)C1
InChIInChI=1S/C11H24N2O/c1-11(2)9-10(5-8-14-11)13(3)7-4-6-12/h10H,4-9,12H2,1-3H3
InChIKeyVQUBPVYMXNXUGG-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.22
Rot. Bonds4

About N'-(2,2-dimethyloxan-4-yl)-N'-methylpropane-1,3-diamine

N'-(2,2-dimethyloxan-4-yl)-N'-methylpropane-1,3-diamine (PubChem CID 115318769) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N'-(2,2-dimethyloxan-4-yl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2,2-dimethyloxan-4-yl)-N'-methylpropane-1,3-diamine
PubChem CID115318769
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN'-(2,2-dimethyloxan-4-yl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)C1CCOC(C)(C)C1
InChIInChI=1S/C11H24N2O/c1-11(2)9-10(5-8-14-11)13(3)7-4-6-12/h10H,4-9,12H2,1-3H3
InChIKeyVQUBPVYMXNXUGG-UHFFFAOYSA-N
XLogP1.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(2,2-dimethyltetrahydro-2H-pyran-4-yl)methyl]-N,N-dimethylpropane-1,3-diamine
CID 3747194
N,2,2-trimethyltetrahydro-2H-pyran-4-amine
CID 13764667
N-ethyl-2,2-dimethyloxan-4-amine
CID 45791211
N-ethyl-2,2-dimethyloxan-4-amine hydrochloride
CID 119031587
N,2,2-trimethyloxan-4-aminehydrochloride
CID 141410410
3-(2,2-Dimethyltetrahydro-2h-pyran-4-yl-methylamino)propanenitrile
CID 129751628
2,2-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxan-4-amine
CID 64101990
2,2-dimethyl-N-(3,3,3-trifluoropropyl)oxan-4-amine
CID 64102495
2,2-dimethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 64106294
N-(2-fluoroethyl)-2,2-dimethyloxan-4-amine
CID 83032572
N-(3-fluoropropyl)-2,2-dimethyloxan-4-amine
CID 83033583
N-(2,2-dimethyloxan-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 83033630

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-dimethyloxan-4-yl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-(2,2-dimethyloxan-4-yl)-N'-methylpropane-1,3-diamine (CID 115318769) is N'-(2,2-dimethyloxan-4-yl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(2,2-dimethyloxan-4-yl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-(2,2-dimethyloxan-4-yl)-N'-methylpropane-1,3-diamine is CN(CCCN)C1CCOC(C)(C)C1.
What is the InChIKey of N'-(2,2-dimethyloxan-4-yl)-N'-methylpropane-1,3-diamine?
The InChIKey is VQUBPVYMXNXUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-11(2)9-10(5-8-14-11)13(3)7-4-6-12/h10H,4-9,12H2,1-3H3.
What are the key properties of N'-(2,2-dimethyloxan-4-yl)-N'-methylpropane-1,3-diamine?
N'-(2,2-dimethyloxan-4-yl)-N'-methylpropane-1,3-diamine has a molecular weight of 200.33 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-dimethyloxan-4-yl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 115318769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).