N-propan-2-yl-2-propyloxiran-2-amine

C8H17NO — CID 163417149

IUPACN-propan-2-yl-2-propyloxiran-2-amine
SMILESCCCC1(NC(C)C)CO1
InChIInChI=1S/C8H17NO/c1-4-5-8(6-10-8)9-7(2)3/h7,9H,4-6H2,1-3H3
InChIKeyAFJOPKLSZWVCFN-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.51
Rot. Bonds4

About N-propan-2-yl-2-propyloxiran-2-amine

N-propan-2-yl-2-propyloxiran-2-amine (PubChem CID 163417149) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-propan-2-yl-2-propyloxiran-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-2-propyloxiran-2-amine
PubChem CID163417149
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-propan-2-yl-2-propyloxiran-2-amine
SMILESCCCC1(NC(C)C)CO1
InChIInChI=1S/C8H17NO/c1-4-5-8(6-10-8)9-7(2)3/h7,9H,4-6H2,1-3H3
InChIKeyAFJOPKLSZWVCFN-UHFFFAOYSA-N
XLogP1.51
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.51
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-propan-2-yl-2-propyloxiran-2-amine?
The IUPAC name of N-propan-2-yl-2-propyloxiran-2-amine (CID 163417149) is N-propan-2-yl-2-propyloxiran-2-amine.
What is the SMILES notation for N-propan-2-yl-2-propyloxiran-2-amine?
The canonical SMILES for N-propan-2-yl-2-propyloxiran-2-amine is CCCC1(NC(C)C)CO1.
What is the InChIKey of N-propan-2-yl-2-propyloxiran-2-amine?
The InChIKey is AFJOPKLSZWVCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-5-8(6-10-8)9-7(2)3/h7,9H,4-6H2,1-3H3.
What are the key properties of N-propan-2-yl-2-propyloxiran-2-amine?
N-propan-2-yl-2-propyloxiran-2-amine has a molecular weight of 143.23 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-propyloxiran-2-amine is sourced from PubChem (CID 163417149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).