3-(2-butyloctyl)-1-methylazetidine

C16H33N — CID 146488333

IUPAC3-(2-butyloctyl)-1-methylazetidine
SMILESCCCCCCC(CCCC)CC1CN(C)C1
InChIInChI=1S/C16H33N/c1-4-6-8-9-11-15(10-7-5-2)12-16-13-17(3)14-16/h15-16H,4-14H2,1-3H3
InChIKeyJLVKNMNCDKSWKB-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.71
Rot. Bonds10

About 3-(2-butyloctyl)-1-methylazetidine

3-(2-butyloctyl)-1-methylazetidine (PubChem CID 146488333) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 3-(2-butyloctyl)-1-methylazetidine.

Molecular Properties

Compound Name3-(2-butyloctyl)-1-methylazetidine
PubChem CID146488333
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name3-(2-butyloctyl)-1-methylazetidine
SMILESCCCCCCC(CCCC)CC1CN(C)C1
InChIInChI=1S/C16H33N/c1-4-6-8-9-11-15(10-7-5-2)12-16-13-17(3)14-16/h15-16H,4-14H2,1-3H3
InChIKeyJLVKNMNCDKSWKB-UHFFFAOYSA-N
XLogP4.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-ethylpentyl)-1-methylazetidine
CID 142104566
4-(cyclopropylmethyl)decan-1-amine
CID 151721982
13-butyldotriacontane
CID 91613083
14-butylheptatriacontane
CID 91361474
16-butylhentriacontane
CID 91509035
6-butylhenicosane
CID 91802566
13-pentylheptacosane
CID 91387927
10-octylicosane
CID 20514731
11-pentylheptacosane
CID 91575569
7-pentylheptadecane
CID 528528
15-pentylheptatriacontane
CID 91048198
7-pentylnonadecane
CID 59903423

Frequently Asked Questions

What is the IUPAC name of 3-(2-butyloctyl)-1-methylazetidine?
The IUPAC name of 3-(2-butyloctyl)-1-methylazetidine (CID 146488333) is 3-(2-butyloctyl)-1-methylazetidine.
What is the SMILES notation for 3-(2-butyloctyl)-1-methylazetidine?
The canonical SMILES for 3-(2-butyloctyl)-1-methylazetidine is CCCCCCC(CCCC)CC1CN(C)C1.
What is the InChIKey of 3-(2-butyloctyl)-1-methylazetidine?
The InChIKey is JLVKNMNCDKSWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-4-6-8-9-11-15(10-7-5-2)12-16-13-17(3)14-16/h15-16H,4-14H2,1-3H3.
What are the key properties of 3-(2-butyloctyl)-1-methylazetidine?
3-(2-butyloctyl)-1-methylazetidine has a molecular weight of 239.45 g/mol, XLogP of 4.71, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butyloctyl)-1-methylazetidine is sourced from PubChem (CID 146488333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).