N',N'-diethyl-N-[[(3R)-oxan-3-yl]methyl]ethane-1,2-diamine

C12H26N2O — CID 93449849

IUPACN',N'-diethyl-N-[[(3R)-oxan-3-yl]methyl]ethane-1,2-diamine
SMILESCCN(CC)CCNC[C@H]1CCCOC1
InChIInChI=1S/C12H26N2O/c1-3-14(4-2)8-7-13-10-12-6-5-9-15-11-12/h12-13H,3-11H2,1-2H3/t12-/m1/s1
InChIKeyRPEIOYHLXUHADF-GFCCVEGCSA-N
MW214.35 g/mol
LogP1.34
Rot. Bonds7

About N',N'-diethyl-N-[[(3R)-oxan-3-yl]methyl]ethane-1,2-diamine

N',N'-diethyl-N-[[(3R)-oxan-3-yl]methyl]ethane-1,2-diamine (PubChem CID 93449849) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N',N'-diethyl-N-[[(3R)-oxan-3-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[[(3R)-oxan-3-yl]methyl]ethane-1,2-diamine
PubChem CID93449849
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN',N'-diethyl-N-[[(3R)-oxan-3-yl]methyl]ethane-1,2-diamine
SMILESCCN(CC)CCNC[C@H]1CCCOC1
InChIInChI=1S/C12H26N2O/c1-3-14(4-2)8-7-13-10-12-6-5-9-15-11-12/h12-13H,3-11H2,1-2H3/t12-/m1/s1
InChIKeyRPEIOYHLXUHADF-GFCCVEGCSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-ethyl-N'-(2-methylpropyl)-N-(oxolan-3-ylmethyl)ethane-1,2-diamine
CID 62575446
N-(oxan-3-ylmethyl)butan-1-amine
CID 61020591
N'-ethyl-N-(oxolan-3-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62553668
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
N-(oxan-3-ylmethyl)nonan-1-amine
CID 61020606
2-cyclopentyl-N-(oxan-3-ylmethyl)ethanamine
CID 63741099
3-ethoxy-N-(oxan-3-ylmethyl)propan-1-amine
CID 63738389
N-(oxan-3-ylmethyl)-2-propoxyethanamine
CID 106451725
1-cyclopentyl-N-(oxan-3-ylmethyl)methanamine
CID 61342622
3-fluoro-N-(oxan-3-ylmethyl)propan-1-amine
CID 81105564
N-(oxan-3-ylmethyl)pent-3-yn-1-amine
CID 104806406
2-(2-methylprop-2-enoxy)-N-(oxan-3-ylmethyl)ethanamine
CID 115908252

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[[(3R)-oxan-3-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[[(3R)-oxan-3-yl]methyl]ethane-1,2-diamine (CID 93449849) is N',N'-diethyl-N-[[(3R)-oxan-3-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[[(3R)-oxan-3-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[[(3R)-oxan-3-yl]methyl]ethane-1,2-diamine is CCN(CC)CCNC[C@H]1CCCOC1.
What is the InChIKey of N',N'-diethyl-N-[[(3R)-oxan-3-yl]methyl]ethane-1,2-diamine?
The InChIKey is RPEIOYHLXUHADF-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-14(4-2)8-7-13-10-12-6-5-9-15-11-12/h12-13H,3-11H2,1-2H3/t12-/m1/s1.
What are the key properties of N',N'-diethyl-N-[[(3R)-oxan-3-yl]methyl]ethane-1,2-diamine?
N',N'-diethyl-N-[[(3R)-oxan-3-yl]methyl]ethane-1,2-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[[(3R)-oxan-3-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 93449849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).