N,3-di(propan-2-yl)oxiran-2-amine

C8H17NO — CID 129172510

IUPACN,3-di(propan-2-yl)oxiran-2-amine
SMILESCC(C)NC1OC1C(C)C
InChIInChI=1S/C8H17NO/c1-5(2)7-8(10-7)9-6(3)4/h5-9H,1-4H3
InChIKeyZSTGUPYSNSDWKB-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.37
Rot. Bonds3

About N,3-di(propan-2-yl)oxiran-2-amine

N,3-di(propan-2-yl)oxiran-2-amine (PubChem CID 129172510) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N,3-di(propan-2-yl)oxiran-2-amine.

Molecular Properties

Compound NameN,3-di(propan-2-yl)oxiran-2-amine
PubChem CID129172510
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN,3-di(propan-2-yl)oxiran-2-amine
SMILESCC(C)NC1OC1C(C)C
InChIInChI=1S/C8H17NO/c1-5(2)7-8(10-7)9-6(3)4/h5-9H,1-4H3
InChIKeyZSTGUPYSNSDWKB-UHFFFAOYSA-N
XLogP1.37
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.37
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 N,3-di(propan-2-yl)oxiran-2-amine?
The IUPAC name of N,3-di(propan-2-yl)oxiran-2-amine (CID 129172510) is N,3-di(propan-2-yl)oxiran-2-amine.
What is the SMILES notation for N,3-di(propan-2-yl)oxiran-2-amine?
The canonical SMILES for N,3-di(propan-2-yl)oxiran-2-amine is CC(C)NC1OC1C(C)C.
What is the InChIKey of N,3-di(propan-2-yl)oxiran-2-amine?
The InChIKey is ZSTGUPYSNSDWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-5(2)7-8(10-7)9-6(3)4/h5-9H,1-4H3.
What are the key properties of N,3-di(propan-2-yl)oxiran-2-amine?
N,3-di(propan-2-yl)oxiran-2-amine has a molecular weight of 143.23 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-di(propan-2-yl)oxiran-2-amine is sourced from PubChem (CID 129172510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).