N-methyl-N-propan-2-yloxiran-2-amine

C6H13NO — CID 123440860

IUPACN-methyl-N-propan-2-yloxiran-2-amine
SMILESCC(C)N(C)C1CO1
InChIInChI=1S/C6H13NO/c1-5(2)7(3)6-4-8-6/h5-6H,4H2,1-3H3
InChIKeyLSVNVPCBSKJYCL-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.68
Rot. Bonds2

About N-methyl-N-propan-2-yloxiran-2-amine

N-methyl-N-propan-2-yloxiran-2-amine (PubChem CID 123440860) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is N-methyl-N-propan-2-yloxiran-2-amine.

Molecular Properties

Compound NameN-methyl-N-propan-2-yloxiran-2-amine
PubChem CID123440860
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC NameN-methyl-N-propan-2-yloxiran-2-amine
SMILESCC(C)N(C)C1CO1
InChIInChI=1S/C6H13NO/c1-5(2)7(3)6-4-8-6/h5-6H,4H2,1-3H3
InChIKeyLSVNVPCBSKJYCL-UHFFFAOYSA-N
XLogP0.68
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.68
H-Bond Donors ≤ 50
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-methyl-N-propan-2-yloxiran-2-amine?
The IUPAC name of N-methyl-N-propan-2-yloxiran-2-amine (CID 123440860) is N-methyl-N-propan-2-yloxiran-2-amine.
What is the SMILES notation for N-methyl-N-propan-2-yloxiran-2-amine?
The canonical SMILES for N-methyl-N-propan-2-yloxiran-2-amine is CC(C)N(C)C1CO1.
What is the InChIKey of N-methyl-N-propan-2-yloxiran-2-amine?
The InChIKey is LSVNVPCBSKJYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-5(2)7(3)6-4-8-6/h5-6H,4H2,1-3H3.
What are the key properties of N-methyl-N-propan-2-yloxiran-2-amine?
N-methyl-N-propan-2-yloxiran-2-amine has a molecular weight of 115.18 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propan-2-yloxiran-2-amine is sourced from PubChem (CID 123440860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).