N-(113C)methyl(113C)methan(15N)amine

C2H7N — CID 71309073

IUPACN-(113C)methyl(113C)methan(15N)amine
SMILES[13CH3][15NH][13CH3]
InChIInChI=1S/C2H7N/c1-3-2/h3H,1-2H3/i1+1,2+1,3+1
InChIKeyROSDSFDQCJNGOL-VMIGTVKRSA-N
MW48.06 g/mol
LogP-0.16
Rot. Bonds

About N-(113C)methyl(113C)methan(15N)amine

N-(113C)methyl(113C)methan(15N)amine (PubChem CID 71309073) has the molecular formula C2H7N and a molecular weight of 48.06 g/mol. Its IUPAC name is N-(113C)methyl(113C)methan(15N)amine.

Molecular Properties

Compound NameN-(113C)methyl(113C)methan(15N)amine
PubChem CID71309073
Molecular FormulaC2H7N
Molecular Weight48.06 g/mol
Exact Mass48.06
IUPAC NameN-(113C)methyl(113C)methan(15N)amine
SMILES[13CH3][15NH][13CH3]
InChIInChI=1S/C2H7N/c1-3-2/h3H,1-2H3/i1+1,2+1,3+1
InChIKeyROSDSFDQCJNGOL-VMIGTVKRSA-N
XLogP-0.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50048.06
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(113C)methyl(113C)methan(15N)amine?
The IUPAC name of N-(113C)methyl(113C)methan(15N)amine (CID 71309073) is N-(113C)methyl(113C)methan(15N)amine.
What is the SMILES notation for N-(113C)methyl(113C)methan(15N)amine?
The canonical SMILES for N-(113C)methyl(113C)methan(15N)amine is [13CH3][15NH][13CH3].
What is the InChIKey of N-(113C)methyl(113C)methan(15N)amine?
The InChIKey is ROSDSFDQCJNGOL-VMIGTVKRSA-N. The full InChI is InChI=1S/C2H7N/c1-3-2/h3H,1-2H3/i1+1,2+1,3+1.
What are the key properties of N-(113C)methyl(113C)methan(15N)amine?
N-(113C)methyl(113C)methan(15N)amine has a molecular weight of 48.06 g/mol, XLogP of -0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(113C)methyl(113C)methan(15N)amine is sourced from PubChem (CID 71309073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).