N-(2-methylpropyl)-3-propan-2-yloxiran-2-amine

C9H19NO — CID 90792162

IUPACN-(2-methylpropyl)-3-propan-2-yloxiran-2-amine
SMILESCC(C)CNC1OC1C(C)C
InChIInChI=1S/C9H19NO/c1-6(2)5-10-9-8(11-9)7(3)4/h6-10H,5H2,1-4H3
InChIKeyATZZKHDCHMQPLJ-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.61
Rot. Bonds4

About N-(2-methylpropyl)-3-propan-2-yloxiran-2-amine

N-(2-methylpropyl)-3-propan-2-yloxiran-2-amine (PubChem CID 90792162) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-propan-2-yloxiran-2-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-propan-2-yloxiran-2-amine
PubChem CID90792162
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-(2-methylpropyl)-3-propan-2-yloxiran-2-amine
SMILESCC(C)CNC1OC1C(C)C
InChIInChI=1S/C9H19NO/c1-6(2)5-10-9-8(11-9)7(3)4/h6-10H,5H2,1-4H3
InChIKeyATZZKHDCHMQPLJ-UHFFFAOYSA-N
XLogP1.61
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.61
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-(2-methylpropyl)-3-propan-2-yloxiran-2-amine?
The IUPAC name of N-(2-methylpropyl)-3-propan-2-yloxiran-2-amine (CID 90792162) is N-(2-methylpropyl)-3-propan-2-yloxiran-2-amine.
What is the SMILES notation for N-(2-methylpropyl)-3-propan-2-yloxiran-2-amine?
The canonical SMILES for N-(2-methylpropyl)-3-propan-2-yloxiran-2-amine is CC(C)CNC1OC1C(C)C.
What is the InChIKey of N-(2-methylpropyl)-3-propan-2-yloxiran-2-amine?
The InChIKey is ATZZKHDCHMQPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-6(2)5-10-9-8(11-9)7(3)4/h6-10H,5H2,1-4H3.
What are the key properties of N-(2-methylpropyl)-3-propan-2-yloxiran-2-amine?
N-(2-methylpropyl)-3-propan-2-yloxiran-2-amine has a molecular weight of 157.26 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-propan-2-yloxiran-2-amine is sourced from PubChem (CID 90792162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).