2-amino-N-[2-(3-methyldiazirin-3-yl)ethyl]acetamide

C6H12N4O — CID 154662588

IUPAC2-amino-N-[2-(3-methyldiazirin-3-yl)ethyl]acetamide
SMILESCC1(CCNC(=O)CN)N=N1
InChIInChI=1S/C6H12N4O/c1-6(9-10-6)2-3-8-5(11)4-7/h2-4,7H2,1H3,(H,8,11)
InChIKeyJYEGXOUIGMSLCB-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.37
Rot. Bonds4

About 2-amino-N-[2-(3-methyldiazirin-3-yl)ethyl]acetamide

2-amino-N-[2-(3-methyldiazirin-3-yl)ethyl]acetamide (PubChem CID 154662588) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 2-amino-N-[2-(3-methyldiazirin-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(3-methyldiazirin-3-yl)ethyl]acetamide
PubChem CID154662588
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name2-amino-N-[2-(3-methyldiazirin-3-yl)ethyl]acetamide
SMILESCC1(CCNC(=O)CN)N=N1
InChIInChI=1S/C6H12N4O/c1-6(9-10-6)2-3-8-5(11)4-7/h2-4,7H2,1H3,(H,8,11)
InChIKeyJYEGXOUIGMSLCB-UHFFFAOYSA-N
XLogP-0.37
TPSA79.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-methyldiazirin-3-yl)ethyl]acetamide?
The IUPAC name of 2-amino-N-[2-(3-methyldiazirin-3-yl)ethyl]acetamide (CID 154662588) is 2-amino-N-[2-(3-methyldiazirin-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-(3-methyldiazirin-3-yl)ethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-(3-methyldiazirin-3-yl)ethyl]acetamide is CC1(CCNC(=O)CN)N=N1.
What is the InChIKey of 2-amino-N-[2-(3-methyldiazirin-3-yl)ethyl]acetamide?
The InChIKey is JYEGXOUIGMSLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-6(9-10-6)2-3-8-5(11)4-7/h2-4,7H2,1H3,(H,8,11).
What are the key properties of 2-amino-N-[2-(3-methyldiazirin-3-yl)ethyl]acetamide?
2-amino-N-[2-(3-methyldiazirin-3-yl)ethyl]acetamide has a molecular weight of 156.19 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3-methyldiazirin-3-yl)ethyl]acetamide is sourced from PubChem (CID 154662588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).