N,N,N'-triethyl-N'-(oxiran-2-ylmethyl)propane-1,3-diamine

C12H26N2O — CID 102992625

IUPACN,N,N'-triethyl-N'-(oxiran-2-ylmethyl)propane-1,3-diamine
SMILESCCN(CC)CCCN(CC)CC1CO1
InChIInChI=1S/C12H26N2O/c1-4-13(5-2)8-7-9-14(6-3)10-12-11-15-12/h12H,4-11H2,1-3H3
InChIKeyDQBPPEHHXNRYMG-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.44
Rot. Bonds9

About N,N,N'-triethyl-N'-(oxiran-2-ylmethyl)propane-1,3-diamine

N,N,N'-triethyl-N'-(oxiran-2-ylmethyl)propane-1,3-diamine (PubChem CID 102992625) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N,N,N'-triethyl-N'-(oxiran-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N'-triethyl-N'-(oxiran-2-ylmethyl)propane-1,3-diamine
PubChem CID102992625
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN,N,N'-triethyl-N'-(oxiran-2-ylmethyl)propane-1,3-diamine
SMILESCCN(CC)CCCN(CC)CC1CO1
InChIInChI=1S/C12H26N2O/c1-4-13(5-2)8-7-9-14(6-3)10-12-11-15-12/h12H,4-11H2,1-3H3
InChIKeyDQBPPEHHXNRYMG-UHFFFAOYSA-N
XLogP1.44
TPSA19.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-(oxiran-2-ylmethyl)tetradecan-1-amine;hydrochloride
CID 174335723
N-butyl-N-(oxiran-2-ylmethyl)butan-1-amine;hydrochloride
CID 159534720
N-ethyl-N-(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine
CID 156771884
N,N,N'-triethyl-N'-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]propane-1,3-diamine
CID 102997663
N,N-bis(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine
CID 19379542
N-(1,3-dioxolan-2-ylmethyl)-N-ethylbutan-1-amine
CID 130729657
4-dimethoxysilyl-N,N-bis(oxiran-2-ylmethyl)butan-1-amine
CID 173013917
N-(oxiran-2-ylmethyl)-N-prop-2-ynylpropan-1-amine
CID 165349516
N,N-dimethyl-N'-(oxiran-2-ylmethyl)-N'-[[(2R)-oxiran-2-yl]methyl]methanediamine
CID 166989099
2-[2-hydroxyethyl(oxiran-2-ylmethyl)amino]ethanol
CID 61234302
N-(ethoxymethyl)-1-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)methanamine
CID 134590552
N,N,N'-triethyl-N'-[[2-(methylamino)cyclohexyl]methyl]propane-1,3-diamine
CID 102997195

Frequently Asked Questions

What is the IUPAC name of N,N,N'-triethyl-N'-(oxiran-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N,N,N'-triethyl-N'-(oxiran-2-ylmethyl)propane-1,3-diamine (CID 102992625) is N,N,N'-triethyl-N'-(oxiran-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N,N,N'-triethyl-N'-(oxiran-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N,N,N'-triethyl-N'-(oxiran-2-ylmethyl)propane-1,3-diamine is CCN(CC)CCCN(CC)CC1CO1.
What is the InChIKey of N,N,N'-triethyl-N'-(oxiran-2-ylmethyl)propane-1,3-diamine?
The InChIKey is DQBPPEHHXNRYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-13(5-2)8-7-9-14(6-3)10-12-11-15-12/h12H,4-11H2,1-3H3.
What are the key properties of N,N,N'-triethyl-N'-(oxiran-2-ylmethyl)propane-1,3-diamine?
N,N,N'-triethyl-N'-(oxiran-2-ylmethyl)propane-1,3-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.44, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-triethyl-N'-(oxiran-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 102992625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).