1-butylazirine

C6H11N — CID 146718240

IUPAC1-butylazirine
SMILESCCCCN1C=C1
InChIInChI=1S/C6H11N/c1-2-3-4-7-5-6-7/h5-6H,2-4H2,1H3
InChIKeyREJVKOUYKCCBLM-UHFFFAOYSA-N
MW97.16 g/mol
LogP1.57
Rot. Bonds3

About 1-butylazirine

1-butylazirine (PubChem CID 146718240) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 1-butylazirine.

Molecular Properties

Compound Name1-butylazirine
PubChem CID146718240
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name1-butylazirine
SMILESCCCCN1C=C1
InChIInChI=1S/C6H11N/c1-2-3-4-7-5-6-7/h5-6H,2-4H2,1H3
InChIKeyREJVKOUYKCCBLM-UHFFFAOYSA-N
XLogP1.57
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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

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N-ethenyl-N-methylbutan-2-amine
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N-ethenyl-N-ethylbutan-1-amine
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N-ethenyl-N-methylbutan-1-amine
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CID 20144596
N,N-bis(ethenyl)butan-1-amine
CID 20144597
N-ethenyl-N-methylcyclopropanamine
CID 20825929
N,N-bis(ethenyl)butan-1-amine;hydron
CID 21243475
Ethenyl-dimethyl-propylazanium
CID 57628888

Frequently Asked Questions

What is the IUPAC name of 1-butylazirine?
The IUPAC name of 1-butylazirine (CID 146718240) is 1-butylazirine.
What is the SMILES notation for 1-butylazirine?
The canonical SMILES for 1-butylazirine is CCCCN1C=C1.
What is the InChIKey of 1-butylazirine?
The InChIKey is REJVKOUYKCCBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-2-3-4-7-5-6-7/h5-6H,2-4H2,1H3.
What are the key properties of 1-butylazirine?
1-butylazirine has a molecular weight of 97.16 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylazirine is sourced from PubChem (CID 146718240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).