3-butan-2-yl-1-(2,5-dimethylheptan-2-yl)azetidine

C16H33N — CID 123894781

IUPAC3-butan-2-yl-1-(2,5-dimethylheptan-2-yl)azetidine
SMILESCCC(C)CCC(C)(C)N1CC(C(C)CC)C1
InChIInChI=1S/C16H33N/c1-7-13(3)9-10-16(5,6)17-11-15(12-17)14(4)8-2/h13-15H,7-12H2,1-6H3
InChIKeyHLFBPQICUXDKRO-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.57
Rot. Bonds7

About 3-butan-2-yl-1-(2,5-dimethylheptan-2-yl)azetidine

3-butan-2-yl-1-(2,5-dimethylheptan-2-yl)azetidine (PubChem CID 123894781) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 3-butan-2-yl-1-(2,5-dimethylheptan-2-yl)azetidine.

Molecular Properties

Compound Name3-butan-2-yl-1-(2,5-dimethylheptan-2-yl)azetidine
PubChem CID123894781
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name3-butan-2-yl-1-(2,5-dimethylheptan-2-yl)azetidine
SMILESCCC(C)CCC(C)(C)N1CC(C(C)CC)C1
InChIInChI=1S/C16H33N/c1-7-13(3)9-10-16(5,6)17-11-15(12-17)14(4)8-2/h13-15H,7-12H2,1-6H3
InChIKeyHLFBPQICUXDKRO-UHFFFAOYSA-N
XLogP4.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2,3,6-trimethyloctan-3-ol
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3,3,6-trimethyloct-1-ene
CID 123906537
3,3,8-trimethyldecan-2-ylcyclopropane
CID 123327548
1-(2-methylpentan-2-yl)-3-[(2-methylpropan-2-yl)oxy]azetidine
CID 134396152
3-methylpentylcyclopropane
CID 56979389
2,2,6-trimethyloctane
CID 522006
5-butan-2-yl-3-methyl-1,3-oxazinane
CID 129275819
(2S)-2-methyl-1-(4-methylhexyl)aziridine
CID 163523150
3,6,6,8-tetramethylundecane
CID 90718379

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-(2,5-dimethylheptan-2-yl)azetidine?
The IUPAC name of 3-butan-2-yl-1-(2,5-dimethylheptan-2-yl)azetidine (CID 123894781) is 3-butan-2-yl-1-(2,5-dimethylheptan-2-yl)azetidine.
What is the SMILES notation for 3-butan-2-yl-1-(2,5-dimethylheptan-2-yl)azetidine?
The canonical SMILES for 3-butan-2-yl-1-(2,5-dimethylheptan-2-yl)azetidine is CCC(C)CCC(C)(C)N1CC(C(C)CC)C1.
What is the InChIKey of 3-butan-2-yl-1-(2,5-dimethylheptan-2-yl)azetidine?
The InChIKey is HLFBPQICUXDKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-7-13(3)9-10-16(5,6)17-11-15(12-17)14(4)8-2/h13-15H,7-12H2,1-6H3.
What are the key properties of 3-butan-2-yl-1-(2,5-dimethylheptan-2-yl)azetidine?
3-butan-2-yl-1-(2,5-dimethylheptan-2-yl)azetidine has a molecular weight of 239.45 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-(2,5-dimethylheptan-2-yl)azetidine is sourced from PubChem (CID 123894781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).