N-(ethoxymethyl)-1-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)methanamine

C9H17NO3 — CID 134590552

IUPACN-(ethoxymethyl)-1-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)methanamine
SMILESCCOCN(CC1CO1)CC1CO1
InChIInChI=1S/C9H17NO3/c1-2-11-7-10(3-8-5-12-8)4-9-6-13-9/h8-9H,2-7H2,1H3
InChIKeyMPGULAHQZRFBAX-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.08
Rot. Bonds7

About N-(ethoxymethyl)-1-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)methanamine

N-(ethoxymethyl)-1-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)methanamine (PubChem CID 134590552) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-(ethoxymethyl)-1-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-(ethoxymethyl)-1-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)methanamine
PubChem CID134590552
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC NameN-(ethoxymethyl)-1-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)methanamine
SMILESCCOCN(CC1CO1)CC1CO1
InChIInChI=1S/C9H17NO3/c1-2-11-7-10(3-8-5-12-8)4-9-6-13-9/h8-9H,2-7H2,1H3
InChIKeyMPGULAHQZRFBAX-UHFFFAOYSA-N
XLogP0.08
TPSA37.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[3-[[ethoxymethyl(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]methyl-(oxiran-2-ylmethyl)amino]propan-2-ol
CID 146179155
N,N-dimethyl-N'-(oxiran-2-ylmethyl)-N'-[[(2R)-oxiran-2-yl]methyl]methanediamine
CID 166989099
N,N,N'-triethyl-N'-(oxiran-2-ylmethyl)propane-1,3-diamine
CID 102992625
N-butyl-N-(oxiran-2-ylmethyl)butan-1-amine;hydrochloride
CID 159534720
N,N-bis(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine
CID 19379542
N-ethyl-N-(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine
CID 156771884
N,N-dimethyl-1-(oxiran-2-yl)methanamine
CID 161234843
N,N-bis(oxiran-2-ylmethyl)but-2-en-1-amine
CID 141262058
1,1,3,3-tetrakis(oxiran-2-ylmethyl)urea
CID 21422545
2-(ethylperoxymethyl)oxirane
CID 134589509
N-(oxiran-2-ylmethyl)-N-prop-2-ynylpropan-1-amine
CID 165349516
2-[2-hydroxyethyl(oxiran-2-ylmethyl)amino]ethanol
CID 61234302

Frequently Asked Questions

What is the IUPAC name of N-(ethoxymethyl)-1-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)methanamine?
The IUPAC name of N-(ethoxymethyl)-1-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)methanamine (CID 134590552) is N-(ethoxymethyl)-1-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)methanamine.
What is the SMILES notation for N-(ethoxymethyl)-1-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)methanamine?
The canonical SMILES for N-(ethoxymethyl)-1-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)methanamine is CCOCN(CC1CO1)CC1CO1.
What is the InChIKey of N-(ethoxymethyl)-1-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)methanamine?
The InChIKey is MPGULAHQZRFBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-11-7-10(3-8-5-12-8)4-9-6-13-9/h8-9H,2-7H2,1H3.
What are the key properties of N-(ethoxymethyl)-1-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)methanamine?
N-(ethoxymethyl)-1-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)methanamine has a molecular weight of 187.24 g/mol, XLogP of 0.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethoxymethyl)-1-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)methanamine is sourced from PubChem (CID 134590552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).