2-ethyl-1-(oxiran-2-yl)hexan-1-amine

C10H21NO — CID 57166499

IUPAC2-ethyl-1-(oxiran-2-yl)hexan-1-amine
SMILESCCCCC(CC)C(N)C1CO1
InChIInChI=1S/C10H21NO/c1-3-5-6-8(4-2)10(11)9-7-12-9/h8-10H,3-7,11H2,1-2H3
InChIKeyDBQLDTWUFUCDSR-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.93
Rot. Bonds6

About 2-ethyl-1-(oxiran-2-yl)hexan-1-amine

2-ethyl-1-(oxiran-2-yl)hexan-1-amine (PubChem CID 57166499) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-ethyl-1-(oxiran-2-yl)hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(oxiran-2-yl)hexan-1-amine
PubChem CID57166499
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-ethyl-1-(oxiran-2-yl)hexan-1-amine
SMILESCCCCC(CC)C(N)C1CO1
InChIInChI=1S/C10H21NO/c1-3-5-6-8(4-2)10(11)9-7-12-9/h8-10H,3-7,11H2,1-2H3
InChIKeyDBQLDTWUFUCDSR-UHFFFAOYSA-N
XLogP1.93
TPSA38.55 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(oxiran-2-yl)hexan-1-amine?
The IUPAC name of 2-ethyl-1-(oxiran-2-yl)hexan-1-amine (CID 57166499) is 2-ethyl-1-(oxiran-2-yl)hexan-1-amine.
What is the SMILES notation for 2-ethyl-1-(oxiran-2-yl)hexan-1-amine?
The canonical SMILES for 2-ethyl-1-(oxiran-2-yl)hexan-1-amine is CCCCC(CC)C(N)C1CO1.
What is the InChIKey of 2-ethyl-1-(oxiran-2-yl)hexan-1-amine?
The InChIKey is DBQLDTWUFUCDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-5-6-8(4-2)10(11)9-7-12-9/h8-10H,3-7,11H2,1-2H3.
What are the key properties of 2-ethyl-1-(oxiran-2-yl)hexan-1-amine?
2-ethyl-1-(oxiran-2-yl)hexan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(oxiran-2-yl)hexan-1-amine is sourced from PubChem (CID 57166499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).