1-butan-2-ylazirine

C6H11N — CID 163589615

IUPAC1-butan-2-ylazirine
SMILESCCC(C)N1C=C1
InChIInChI=1S/C6H11N/c1-3-6(2)7-4-5-7/h4-6H,3H2,1-2H3
InChIKeyMTYOICDEMXOCGN-UHFFFAOYSA-N
MW97.16 g/mol
LogP1.57
Rot. Bonds2

About 1-butan-2-ylazirine

1-butan-2-ylazirine (PubChem CID 163589615) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 1-butan-2-ylazirine.

Molecular Properties

Compound Name1-butan-2-ylazirine
PubChem CID163589615
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name1-butan-2-ylazirine
SMILESCCC(C)N1C=C1
InChIInChI=1S/C6H11N/c1-3-6(2)7-4-5-7/h4-6H,3H2,1-2H3
InChIKeyMTYOICDEMXOCGN-UHFFFAOYSA-N
XLogP1.57
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-bis(ethenyl)propan-2-amine
CID 134896310
N-ethenyl-N-methylpropan-1-amine
CID 17841516
N-ethenyl-N-methylpropan-2-amine
CID 17841523
N-ethenyl-N-methylbutan-2-amine
CID 17841538
N-ethenyl-N-methylbutan-1-amine
CID 18732229
N-ethenyl-N-methylcyclopropanamine
CID 20825929
N-butan-2-yl-N-ethenylbutan-2-amine
CID 22467875
Ethenyl-dimethyl-propylazanium
CID 57628888
1-(2-Methylpropyl)azirine
CID 59800824
Ethenyl-dimethyl-propan-2-ylazanium
CID 85679237
N,N-bis(ethenyl)propan-1-amine
CID 88561887
N-ethenyl-N-methylcyclobutanamine
CID 88975418

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-ylazirine?
The IUPAC name of 1-butan-2-ylazirine (CID 163589615) is 1-butan-2-ylazirine.
What is the SMILES notation for 1-butan-2-ylazirine?
The canonical SMILES for 1-butan-2-ylazirine is CCC(C)N1C=C1.
What is the InChIKey of 1-butan-2-ylazirine?
The InChIKey is MTYOICDEMXOCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-3-6(2)7-4-5-7/h4-6H,3H2,1-2H3.
What are the key properties of 1-butan-2-ylazirine?
1-butan-2-ylazirine has a molecular weight of 97.16 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-ylazirine is sourced from PubChem (CID 163589615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).