1-(3-ethylheptan-3-yl)pyrrolidine

C13H27N — CID 11745601

IUPAC1-(3-ethylheptan-3-yl)pyrrolidine
SMILESCCCCC(CC)(CC)N1CCCC1
InChIInChI=1S/C13H27N/c1-4-7-10-13(5-2,6-3)14-11-8-9-12-14/h4-12H2,1-3H3
InChIKeyCQBOCZWWAGBAQJ-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.83
Rot. Bonds6

About 1-(3-ethylheptan-3-yl)pyrrolidine

1-(3-ethylheptan-3-yl)pyrrolidine (PubChem CID 11745601) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 1-(3-ethylheptan-3-yl)pyrrolidine.

Molecular Properties

Compound Name1-(3-ethylheptan-3-yl)pyrrolidine
PubChem CID11745601
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name1-(3-ethylheptan-3-yl)pyrrolidine
SMILESCCCCC(CC)(CC)N1CCCC1
InChIInChI=1S/C13H27N/c1-4-7-10-13(5-2,6-3)14-11-8-9-12-14/h4-12H2,1-3H3
InChIKeyCQBOCZWWAGBAQJ-UHFFFAOYSA-N
XLogP3.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylheptan-3-yl)pyrrolidine?
The IUPAC name of 1-(3-ethylheptan-3-yl)pyrrolidine (CID 11745601) is 1-(3-ethylheptan-3-yl)pyrrolidine.
What is the SMILES notation for 1-(3-ethylheptan-3-yl)pyrrolidine?
The canonical SMILES for 1-(3-ethylheptan-3-yl)pyrrolidine is CCCCC(CC)(CC)N1CCCC1.
What is the InChIKey of 1-(3-ethylheptan-3-yl)pyrrolidine?
The InChIKey is CQBOCZWWAGBAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-4-7-10-13(5-2,6-3)14-11-8-9-12-14/h4-12H2,1-3H3.
What are the key properties of 1-(3-ethylheptan-3-yl)pyrrolidine?
1-(3-ethylheptan-3-yl)pyrrolidine has a molecular weight of 197.37 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylheptan-3-yl)pyrrolidine is sourced from PubChem (CID 11745601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).