N-tert-butyl-3-propan-2-yloxiran-2-amine

C9H19NO — CID 91299271

IUPACN-tert-butyl-3-propan-2-yloxiran-2-amine
SMILESCC(C)C1OC1NC(C)(C)C
InChIInChI=1S/C9H19NO/c1-6(2)7-8(11-7)10-9(3,4)5/h6-8,10H,1-5H3
InChIKeyRSOWNQSGXNAWOE-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.76
Rot. Bonds2

About N-tert-butyl-3-propan-2-yloxiran-2-amine

N-tert-butyl-3-propan-2-yloxiran-2-amine (PubChem CID 91299271) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-tert-butyl-3-propan-2-yloxiran-2-amine.

Molecular Properties

Compound NameN-tert-butyl-3-propan-2-yloxiran-2-amine
PubChem CID91299271
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-tert-butyl-3-propan-2-yloxiran-2-amine
SMILESCC(C)C1OC1NC(C)(C)C
InChIInChI=1S/C9H19NO/c1-6(2)7-8(11-7)10-9(3,4)5/h6-8,10H,1-5H3
InChIKeyRSOWNQSGXNAWOE-UHFFFAOYSA-N
XLogP1.76
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.76
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-tert-butyl-3-propan-2-yloxiran-2-amine?
The IUPAC name of N-tert-butyl-3-propan-2-yloxiran-2-amine (CID 91299271) is N-tert-butyl-3-propan-2-yloxiran-2-amine.
What is the SMILES notation for N-tert-butyl-3-propan-2-yloxiran-2-amine?
The canonical SMILES for N-tert-butyl-3-propan-2-yloxiran-2-amine is CC(C)C1OC1NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-propan-2-yloxiran-2-amine?
The InChIKey is RSOWNQSGXNAWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-6(2)7-8(11-7)10-9(3,4)5/h6-8,10H,1-5H3.
What are the key properties of N-tert-butyl-3-propan-2-yloxiran-2-amine?
N-tert-butyl-3-propan-2-yloxiran-2-amine has a molecular weight of 157.26 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-propan-2-yloxiran-2-amine is sourced from PubChem (CID 91299271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).