N-methyl-N-[[(2S)-oxiran-2-yl]methyl]propan-2-amine

C7H15NO — CID 40505261

IUPACN-methyl-N-[[(2S)-oxiran-2-yl]methyl]propan-2-amine
SMILESCC(C)N(C)C[C@H]1CO1
InChIInChI=1S/C7H15NO/c1-6(2)8(3)4-7-5-9-7/h6-7H,4-5H2,1-3H3/t7-/m0/s1
InChIKeyKRSKXWNYUQDZLG-ZETCQYMHSA-N
MW129.20 g/mol
LogP0.73
Rot. Bonds3

About N-methyl-N-[[(2S)-oxiran-2-yl]methyl]propan-2-amine

N-methyl-N-[[(2S)-oxiran-2-yl]methyl]propan-2-amine (PubChem CID 40505261) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is N-methyl-N-[[(2S)-oxiran-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[[(2S)-oxiran-2-yl]methyl]propan-2-amine
PubChem CID40505261
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC NameN-methyl-N-[[(2S)-oxiran-2-yl]methyl]propan-2-amine
SMILESCC(C)N(C)C[C@H]1CO1
InChIInChI=1S/C7H15NO/c1-6(2)8(3)4-7-5-9-7/h6-7H,4-5H2,1-3H3/t7-/m0/s1
InChIKeyKRSKXWNYUQDZLG-ZETCQYMHSA-N
XLogP0.73
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.73
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-[[(2S)-oxiran-2-yl]methyl]propan-2-amine?
The IUPAC name of N-methyl-N-[[(2S)-oxiran-2-yl]methyl]propan-2-amine (CID 40505261) is N-methyl-N-[[(2S)-oxiran-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-methyl-N-[[(2S)-oxiran-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-methyl-N-[[(2S)-oxiran-2-yl]methyl]propan-2-amine is CC(C)N(C)C[C@H]1CO1.
What is the InChIKey of N-methyl-N-[[(2S)-oxiran-2-yl]methyl]propan-2-amine?
The InChIKey is KRSKXWNYUQDZLG-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H15NO/c1-6(2)8(3)4-7-5-9-7/h6-7H,4-5H2,1-3H3/t7-/m0/s1.
What are the key properties of N-methyl-N-[[(2S)-oxiran-2-yl]methyl]propan-2-amine?
N-methyl-N-[[(2S)-oxiran-2-yl]methyl]propan-2-amine has a molecular weight of 129.20 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(2S)-oxiran-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 40505261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).