2-N,2-N,2-trimethyl-1-(oxan-3-yl)propane-1,2-diamine

C11H24N2O — CID 107136542

IUPAC2-N,2-N,2-trimethyl-1-(oxan-3-yl)propane-1,2-diamine
SMILESCN(C)C(C)(C)C(N)C1CCCOC1
InChIInChI=1S/C11H24N2O/c1-11(2,13(3)4)10(12)9-6-5-7-14-8-9/h9-10H,5-8,12H2,1-4H3
InChIKeyFCWYNMCWHBXDRM-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.08
Rot. Bonds3

About 2-N,2-N,2-trimethyl-1-(oxan-3-yl)propane-1,2-diamine

2-N,2-N,2-trimethyl-1-(oxan-3-yl)propane-1,2-diamine (PubChem CID 107136542) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 2-N,2-N,2-trimethyl-1-(oxan-3-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,2-trimethyl-1-(oxan-3-yl)propane-1,2-diamine
PubChem CID107136542
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name2-N,2-N,2-trimethyl-1-(oxan-3-yl)propane-1,2-diamine
SMILESCN(C)C(C)(C)C(N)C1CCCOC1
InChIInChI=1S/C11H24N2O/c1-11(2,13(3)4)10(12)9-6-5-7-14-8-9/h9-10H,5-8,12H2,1-4H3
InChIKeyFCWYNMCWHBXDRM-UHFFFAOYSA-N
XLogP1.08
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[(3R)-oxan-3-yl]ethanamine
CID 96637700
2-N,2-N,2-triethyl-1-(oxan-3-yl)butane-1,2-diamine
CID 107136583
bis(oxan-3-yl)methanamine
CID 107136437
3-methoxy-3-methyl-1-(oxan-3-yl)butan-1-amine
CID 107139106
(1R)-1-[(3S)-oxan-3-yl]propan-1-amine
CID 96636720
2-methoxy-3,3-dimethyl-1-(oxan-3-yl)butan-1-amine
CID 107136882
N-methyl-N-(2-methylbutan-2-yl)-1-(oxan-3-yl)ethane-1,2-diamine
CID 63983102
(2S)-2-amino-2-(oxan-3-yl)acetic acid
CID 107134850
3-methyl-1-(oxan-3-yl)butan-1-amine
CID 65331695
ethane;3-propan-2-yloxane
CID 143985480
[(1R)-1-amino-1-[(3R)-oxan-3-yl]propan-2-yl]-methylcarbamic acid
CID 69264040
2-N,2-N,2-trimethyl-1-(oxan-3-yl)-1-N-propylbutane-1,2-diamine
CID 107136565

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-trimethyl-1-(oxan-3-yl)propane-1,2-diamine?
The IUPAC name of 2-N,2-N,2-trimethyl-1-(oxan-3-yl)propane-1,2-diamine (CID 107136542) is 2-N,2-N,2-trimethyl-1-(oxan-3-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,2-trimethyl-1-(oxan-3-yl)propane-1,2-diamine?
The canonical SMILES for 2-N,2-N,2-trimethyl-1-(oxan-3-yl)propane-1,2-diamine is CN(C)C(C)(C)C(N)C1CCCOC1.
What is the InChIKey of 2-N,2-N,2-trimethyl-1-(oxan-3-yl)propane-1,2-diamine?
The InChIKey is FCWYNMCWHBXDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-11(2,13(3)4)10(12)9-6-5-7-14-8-9/h9-10H,5-8,12H2,1-4H3.
What are the key properties of 2-N,2-N,2-trimethyl-1-(oxan-3-yl)propane-1,2-diamine?
2-N,2-N,2-trimethyl-1-(oxan-3-yl)propane-1,2-diamine has a molecular weight of 200.33 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,2-trimethyl-1-(oxan-3-yl)propane-1,2-diamine is sourced from PubChem (CID 107136542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).