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

C12H26N2O — CID 63737020

IUPAC2-N,2-N,2-trimethyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine
SMILESCN(C)C(C)(C)CNCC1CCCOC1
InChIInChI=1S/C12H26N2O/c1-12(2,14(3)4)10-13-8-11-6-5-7-15-9-11/h11,13H,5-10H2,1-4H3
InChIKeyHZEGMITUNWBALN-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.34
Rot. Bonds5

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

2-N,2-N,2-trimethyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine (PubChem CID 63737020) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-N,2-N,2-trimethyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,2-trimethyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine
PubChem CID63737020
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-N,2-N,2-trimethyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine
SMILESCN(C)C(C)(C)CNCC1CCCOC1
InChIInChI=1S/C12H26N2O/c1-12(2,14(3)4)10-13-8-11-6-5-7-15-9-11/h11,13H,5-10H2,1-4H3
InChIKeyHZEGMITUNWBALN-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
2,2-dimethyl-3-(oxan-3-ylmethylamino)propanenitrile
CID 104587296
4-methoxy-2,2-dimethyl-N-(oxan-3-ylmethyl)butan-1-amine
CID 104625195
1-(dimethylamino)-3-(oxan-3-ylmethylamino)propan-2-ol
CID 61020835
1-cyclopentyl-N-(oxan-3-ylmethyl)methanamine
CID 61342622
2-methyl-N-(oxan-3-ylmethyl)-2-phenylpropan-1-amine
CID 63740219
2-N,2-N,2-trimethyl-1-N-(piperidin-3-ylmethyl)propane-1,2-diamine
CID 80553591
2-cyclopentyl-N-(oxan-3-ylmethyl)ethanamine
CID 63741099
2-cyclopentyl-2-methyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 115888052
N-(oxan-3-ylmethyl)butan-1-amine
CID 61020591
N',N'-diethyl-N-[[(3R)-oxan-3-yl]methyl]ethane-1,2-diamine
CID 93449849
N-methyl-N-(oxan-3-ylmethyl)hydroxylamine
CID 82594564

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-trimethyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine?
The IUPAC name of 2-N,2-N,2-trimethyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine (CID 63737020) is 2-N,2-N,2-trimethyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,2-trimethyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 2-N,2-N,2-trimethyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine is CN(C)C(C)(C)CNCC1CCCOC1.
What is the InChIKey of 2-N,2-N,2-trimethyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine?
The InChIKey is HZEGMITUNWBALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-12(2,14(3)4)10-13-8-11-6-5-7-15-9-11/h11,13H,5-10H2,1-4H3.
What are the key properties of 2-N,2-N,2-trimethyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine?
2-N,2-N,2-trimethyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.34, 5 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-N-(oxan-3-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 63737020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).