N-methyl-1-(1-methylaziridin-2-yl)methanamine

C5H12N2 — CID 117010139

IUPACN-methyl-1-(1-methylaziridin-2-yl)methanamine
SMILESCNCC1CN1C
InChIInChI=1S/C5H12N2/c1-6-3-5-4-7(5)2/h5-6H,3-4H2,1-2H3
InChIKeyURYLHWMGZPWDNS-UHFFFAOYSA-N
MW100.17 g/mol
LogP-0.48
Rot. Bonds2

About N-methyl-1-(1-methylaziridin-2-yl)methanamine

N-methyl-1-(1-methylaziridin-2-yl)methanamine (PubChem CID 117010139) has the molecular formula C5H12N2 and a molecular weight of 100.17 g/mol. Its IUPAC name is N-methyl-1-(1-methylaziridin-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methylaziridin-2-yl)methanamine
PubChem CID117010139
Molecular FormulaC5H12N2
Molecular Weight100.17 g/mol
Exact Mass100.10
IUPAC NameN-methyl-1-(1-methylaziridin-2-yl)methanamine
SMILESCNCC1CN1C
InChIInChI=1S/C5H12N2/c1-6-3-5-4-7(5)2/h5-6H,3-4H2,1-2H3
InChIKeyURYLHWMGZPWDNS-UHFFFAOYSA-N
XLogP-0.48
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.17
LogP ≤ 5-0.48
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-methyl-1-(1-methylaziridin-2-yl)methanamine?
The IUPAC name of N-methyl-1-(1-methylaziridin-2-yl)methanamine (CID 117010139) is N-methyl-1-(1-methylaziridin-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1-methylaziridin-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(1-methylaziridin-2-yl)methanamine is CNCC1CN1C.
What is the InChIKey of N-methyl-1-(1-methylaziridin-2-yl)methanamine?
The InChIKey is URYLHWMGZPWDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2/c1-6-3-5-4-7(5)2/h5-6H,3-4H2,1-2H3.
What are the key properties of N-methyl-1-(1-methylaziridin-2-yl)methanamine?
N-methyl-1-(1-methylaziridin-2-yl)methanamine has a molecular weight of 100.17 g/mol, XLogP of -0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylaziridin-2-yl)methanamine is sourced from PubChem (CID 117010139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).