2-octyloxiran-2-amine

C10H21NO — CID 87096100

IUPAC2-octyloxiran-2-amine
SMILESCCCCCCCCC1(N)CO1
InChIInChI=1S/C10H21NO/c1-2-3-4-5-6-7-8-10(11)9-12-10/h2-9,11H2,1H3
InChIKeyGBOIKRZSODTIRO-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.42
Rot. Bonds7

About 2-octyloxiran-2-amine

2-octyloxiran-2-amine (PubChem CID 87096100) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-octyloxiran-2-amine.

Molecular Properties

Compound Name2-octyloxiran-2-amine
PubChem CID87096100
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-octyloxiran-2-amine
SMILESCCCCCCCCC1(N)CO1
InChIInChI=1S/C10H21NO/c1-2-3-4-5-6-7-8-10(11)9-12-10/h2-9,11H2,1H3
InChIKeyGBOIKRZSODTIRO-UHFFFAOYSA-N
XLogP2.42
TPSA38.55 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hexadecyl-2-tetradecyloxirane
CID 71421731
2-icosyl-2-methyloxirane
CID 87753382
2-methyl-2-nonadecyloxirane
CID 87754306
2-hexadecyl-2-methyloxirane
CID 87444144
2-fluoro-2-hexyloxirane
CID 21452195
2-hexyl-2-propyloxirane
CID 139691135
1-decylcyclopropan-1-amine
CID 66023987
2-methyl-2-pentyloxirane
CID 559073
2-hexyl-2-propan-2-yloxirane
CID 170634762
icosane;phosphane;hydrobromide
CID 172836983
2-heptyl-2-octyl-1,3-dioxolane
CID 89440490
2-dodecyl-2-heptyl-1,3-dioxolane
CID 89440443

Frequently Asked Questions

What is the IUPAC name of 2-octyloxiran-2-amine?
The IUPAC name of 2-octyloxiran-2-amine (CID 87096100) is 2-octyloxiran-2-amine.
What is the SMILES notation for 2-octyloxiran-2-amine?
The canonical SMILES for 2-octyloxiran-2-amine is CCCCCCCCC1(N)CO1.
What is the InChIKey of 2-octyloxiran-2-amine?
The InChIKey is GBOIKRZSODTIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-2-3-4-5-6-7-8-10(11)9-12-10/h2-9,11H2,1H3.
What are the key properties of 2-octyloxiran-2-amine?
2-octyloxiran-2-amine has a molecular weight of 171.28 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octyloxiran-2-amine is sourced from PubChem (CID 87096100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).