ethanamine;1-(ethylamino)propan-2-ol;2-methyloxirane

C10H26N2O2 — CID 161310454

IUPACethanamine;1-(ethylamino)propan-2-ol;2-methyloxirane
SMILESCC1CO1.CCN.CCNCC(C)O
InChIInChI=1S/C5H13NO.C3H6O.C2H7N/c1-3-6-4-5(2)7;1-3-2-4-3;1-2-3/h5-7H,3-4H2,1-2H3;3H,2H2,1H3;2-3H2,1H3
InChIKeyVIUVJJGPWBTWCJ-UHFFFAOYSA-N
MW206.33 g/mol
LogP0.35
Rot. Bonds3

About ethanamine;1-(ethylamino)propan-2-ol;2-methyloxirane

ethanamine;1-(ethylamino)propan-2-ol;2-methyloxirane (PubChem CID 161310454) has the molecular formula C10H26N2O2 and a molecular weight of 206.33 g/mol. Its IUPAC name is ethanamine;1-(ethylamino)propan-2-ol;2-methyloxirane.

Molecular Properties

Compound Nameethanamine;1-(ethylamino)propan-2-ol;2-methyloxirane
PubChem CID161310454
Molecular FormulaC10H26N2O2
Molecular Weight206.33 g/mol
Exact Mass206.20
IUPAC Nameethanamine;1-(ethylamino)propan-2-ol;2-methyloxirane
SMILESCC1CO1.CCN.CCNCC(C)O
InChIInChI=1S/C5H13NO.C3H6O.C2H7N/c1-3-6-4-5(2)7;1-3-2-4-3;1-2-3/h5-7H,3-4H2,1-2H3;3H,2H2,1H3;2-3H2,1H3
InChIKeyVIUVJJGPWBTWCJ-UHFFFAOYSA-N
XLogP0.35
TPSA70.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethanamine;1-(ethylamino)propan-2-ol;2-methyloxirane?
The IUPAC name of ethanamine;1-(ethylamino)propan-2-ol;2-methyloxirane (CID 161310454) is ethanamine;1-(ethylamino)propan-2-ol;2-methyloxirane.
What is the SMILES notation for ethanamine;1-(ethylamino)propan-2-ol;2-methyloxirane?
The canonical SMILES for ethanamine;1-(ethylamino)propan-2-ol;2-methyloxirane is CC1CO1.CCN.CCNCC(C)O.
What is the InChIKey of ethanamine;1-(ethylamino)propan-2-ol;2-methyloxirane?
The InChIKey is VIUVJJGPWBTWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO.C3H6O.C2H7N/c1-3-6-4-5(2)7;1-3-2-4-3;1-2-3/h5-7H,3-4H2,1-2H3;3H,2H2,1H3;2-3H2,1H3.
What are the key properties of ethanamine;1-(ethylamino)propan-2-ol;2-methyloxirane?
ethanamine;1-(ethylamino)propan-2-ol;2-methyloxirane has a molecular weight of 206.33 g/mol, XLogP of 0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;1-(ethylamino)propan-2-ol;2-methyloxirane is sourced from PubChem (CID 161310454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).