3-butylazetidine

C7H15N — CID 20827268

IUPAC3-butylazetidine
SMILESCCCCC1CNC1
InChIInChI=1S/C7H15N/c1-2-3-4-7-5-8-6-7/h7-8H,2-6H2,1H3
InChIKeyHGQJMYCOVGFCME-UHFFFAOYSA-N
MW113.20 g/mol
LogP1.40
Rot. Bonds3

About 3-butylazetidine

3-butylazetidine (PubChem CID 20827268) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is 3-butylazetidine.

Molecular Properties

Compound Name3-butylazetidine
PubChem CID20827268
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name3-butylazetidine
SMILESCCCCC1CNC1
InChIInChI=1S/C7H15N/c1-2-3-4-7-5-8-6-7/h7-8H,2-6H2,1H3
InChIKeyHGQJMYCOVGFCME-UHFFFAOYSA-N
XLogP1.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(Cyclobutylmethyl)(methyl)amine
CID 19830271
2-Methyl-2-propylazetidine
CID 65805102
2-(Propan-2-yl)azetidine hydrochloride
CID 71758181
Methyl(2-methylpentyl)amine
CID 20431011
3-Cyclobutylazetidine
CID 71743870
3-(1-Methylazetidin-3-yl)propan-1-amine
CID 82593752
3-Pentylazetidine hydrochloride
CID 86775430
3-(Butan-2-yl)azetidine hydrochloride
CID 126845859
2-(2-Methylpropyl)azetidine hydrochloride
CID 132398672
3-(Cyclopropylmethyl)azetidine hydrochloride
CID 134690781
3-(2-Methylpropyl)azetidine hydrochloride
CID 137951741
N,2-dimethylhexan-1-amine
CID 12561343

Frequently Asked Questions

What is the IUPAC name of 3-butylazetidine?
The IUPAC name of 3-butylazetidine (CID 20827268) is 3-butylazetidine.
What is the SMILES notation for 3-butylazetidine?
The canonical SMILES for 3-butylazetidine is CCCCC1CNC1.
What is the InChIKey of 3-butylazetidine?
The InChIKey is HGQJMYCOVGFCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N/c1-2-3-4-7-5-8-6-7/h7-8H,2-6H2,1H3.
What are the key properties of 3-butylazetidine?
3-butylazetidine has a molecular weight of 113.20 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylazetidine is sourced from PubChem (CID 20827268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).