4-butan-2-yltriazetidine

C5H13N3 — CID 130056510

IUPAC4-butan-2-yltriazetidine
SMILESCCC(C)C1NNN1
InChIInChI=1S/C5H13N3/c1-3-4(2)5-6-8-7-5/h4-8H,3H2,1-2H3
InChIKeyJPKLYDHKOKOLDM-UHFFFAOYSA-N
MW115.18 g/mol
LogP-0.03
Rot. Bonds2

About 4-butan-2-yltriazetidine

4-butan-2-yltriazetidine (PubChem CID 130056510) has the molecular formula C5H13N3 and a molecular weight of 115.18 g/mol. Its IUPAC name is 4-butan-2-yltriazetidine.

Molecular Properties

Compound Name4-butan-2-yltriazetidine
PubChem CID130056510
Molecular FormulaC5H13N3
Molecular Weight115.18 g/mol
Exact Mass115.11
IUPAC Name4-butan-2-yltriazetidine
SMILESCCC(C)C1NNN1
InChIInChI=1S/C5H13N3/c1-3-4(2)5-6-8-7-5/h4-8H,3H2,1-2H3
InChIKeyJPKLYDHKOKOLDM-UHFFFAOYSA-N
XLogP-0.03
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

CID 90868308
CID 90868308
2,3-di(butan-2-yl)cyclopropan-1-amine
CID 123532822
(5R)-5-butan-2-ylpyrrolidin-2-one
CID 167119866
(3S,6S)-3,6-bis[(2R)-butan-2-yl]piperazine-2,5-dione
CID 7076241
4-[(2R)-butan-2-yl]piperidine;ethane
CID 142032949
5-butan-2-yl-2-ethyl-1-(1-methoxybutan-2-yl)piperazine
CID 64936870
3-butan-2-yl-8-azabicyclo[3.2.1]octane
CID 89423739
(2S)-2-[(2S)-butan-2-yl]pyrrolidine
CID 7047855
(2R)-2-butan-2-ylcyclopropane-1-thiol
CID 89002970
2,5-di(butan-2-yl)-2,5-dihydropyrazine
CID 139215266
2-butan-2-yloxirane;methane
CID 161408982
2-butan-2-yl-1,3-dimethylcyclopentane
CID 90760041

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yltriazetidine?
The IUPAC name of 4-butan-2-yltriazetidine (CID 130056510) is 4-butan-2-yltriazetidine.
What is the SMILES notation for 4-butan-2-yltriazetidine?
The canonical SMILES for 4-butan-2-yltriazetidine is CCC(C)C1NNN1.
What is the InChIKey of 4-butan-2-yltriazetidine?
The InChIKey is JPKLYDHKOKOLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3/c1-3-4(2)5-6-8-7-5/h4-8H,3H2,1-2H3.
What are the key properties of 4-butan-2-yltriazetidine?
4-butan-2-yltriazetidine has a molecular weight of 115.18 g/mol, XLogP of -0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yltriazetidine is sourced from PubChem (CID 130056510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).