1-butyl-3-methyl-1,3-diazetidine

C7H16N2 — CID 54539532

IUPAC1-butyl-3-methyl-1,3-diazetidine
SMILESCCCCN1CN(C)C1
InChIInChI=1S/C7H16N2/c1-3-4-5-9-6-8(2)7-9/h3-7H2,1-2H3
InChIKeyZCDZJXYKJLFLSL-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.95
Rot. Bonds3

About 1-butyl-3-methyl-1,3-diazetidine

1-butyl-3-methyl-1,3-diazetidine (PubChem CID 54539532) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 1-butyl-3-methyl-1,3-diazetidine.

Molecular Properties

Compound Name1-butyl-3-methyl-1,3-diazetidine
PubChem CID54539532
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name1-butyl-3-methyl-1,3-diazetidine
SMILESCCCCN1CN(C)C1
InChIInChI=1S/C7H16N2/c1-3-4-5-9-6-8(2)7-9/h3-7H2,1-2H3
InChIKeyZCDZJXYKJLFLSL-UHFFFAOYSA-N
XLogP0.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-butyl-3-methyl-1,3-diazetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-butyl-1,2-diethyl-1,2,4-triazolidine
CID 163847539
1,3,5-tri(hexacosyl)-1,3,5-triazinane
CID 175381685
1-butyl-3-methylimidazolidine;tetrachloroiron(1-)
CID 159576929
1-butyl-3,5-dimethyl-1,3,5-triazinane;N,N-dimethylethanamine;N-methylpropan-1-amine
CID 158256301
1-methyl-3-octadecylimidazolidine;hydrobromide
CID 173194742
1,3,5-tris(2-butoxyethyl)-1,3,5-triazinane
CID 142761173
1-butylazetidine;ethane
CID 143628082
3-[3-(3-hydroxypropyl)-5-methyl-1,3,5-triazinan-1-yl]propan-1-ol
CID 139643715
3-(3-butylimidazolidin-1-yl)propyl-diethoxy-methylsilane
CID 59927470
1,3-dibutyl-5-cyclohexyl-1,3,5-triazinane
CID 19832453
1-methyl-3-pentylimidazolidine;pentafluoro-λ5-phosphane;fluoride
CID 158364955
4-butyl-1,4-thiazinane 1,1-dioxide;ethane
CID 143865715

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methyl-1,3-diazetidine?
The IUPAC name of 1-butyl-3-methyl-1,3-diazetidine (CID 54539532) is 1-butyl-3-methyl-1,3-diazetidine.
What is the SMILES notation for 1-butyl-3-methyl-1,3-diazetidine?
The canonical SMILES for 1-butyl-3-methyl-1,3-diazetidine is CCCCN1CN(C)C1.
What is the InChIKey of 1-butyl-3-methyl-1,3-diazetidine?
The InChIKey is ZCDZJXYKJLFLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-3-4-5-9-6-8(2)7-9/h3-7H2,1-2H3.
What are the key properties of 1-butyl-3-methyl-1,3-diazetidine?
1-butyl-3-methyl-1,3-diazetidine has a molecular weight of 128.22 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methyl-1,3-diazetidine is sourced from PubChem (CID 54539532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).