1-heptan-4-yl-2-pyrrolidin-2-ylpyrrolidine

C15H30N2 — CID 62274223

IUPAC1-heptan-4-yl-2-pyrrolidin-2-ylpyrrolidine
SMILESCCCC(CCC)N1CCCC1C1CCCN1
InChIInChI=1S/C15H30N2/c1-3-7-13(8-4-2)17-12-6-10-15(17)14-9-5-11-16-14/h13-16H,3-12H2,1-2H3
InChIKeyRUZQPXZUAOTDNQ-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.17
Rot. Bonds6

About 1-heptan-4-yl-2-pyrrolidin-2-ylpyrrolidine

1-heptan-4-yl-2-pyrrolidin-2-ylpyrrolidine (PubChem CID 62274223) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-heptan-4-yl-2-pyrrolidin-2-ylpyrrolidine.

Molecular Properties

Compound Name1-heptan-4-yl-2-pyrrolidin-2-ylpyrrolidine
PubChem CID62274223
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-heptan-4-yl-2-pyrrolidin-2-ylpyrrolidine
SMILESCCCC(CCC)N1CCCC1C1CCCN1
InChIInChI=1S/C15H30N2/c1-3-7-13(8-4-2)17-12-6-10-15(17)14-9-5-11-16-14/h13-16H,3-12H2,1-2H3
InChIKeyRUZQPXZUAOTDNQ-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-nonan-2-yl-2-pyrrolidin-2-ylpyrrolidine
CID 55053955
1-propan-2-yl-2-pyrrolidin-2-ylpiperidine
CID 63256346
1-heptan-2-yl-2-pyrrolidin-2-ylpiperidine
CID 80557844
ethyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butanoate
CID 64663187
1-[1-(4-fluorophenyl)propyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62274052
N-(3-methylbutyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide
CID 62275455
1-heptan-4-yl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678004
2-[1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propyl]phenol
CID 62275062
(4aS,8aR)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-1,5-naphthyridine
CID 54339853
1-[1-(furan-2-yl)propan-2-yl]-2-pyrrolidin-2-ylpyrrolidine
CID 55180167
N-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide
CID 62275284
2-ethyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)hexan-1-one
CID 62274579

Frequently Asked Questions

What is the IUPAC name of 1-heptan-4-yl-2-pyrrolidin-2-ylpyrrolidine?
The IUPAC name of 1-heptan-4-yl-2-pyrrolidin-2-ylpyrrolidine (CID 62274223) is 1-heptan-4-yl-2-pyrrolidin-2-ylpyrrolidine.
What is the SMILES notation for 1-heptan-4-yl-2-pyrrolidin-2-ylpyrrolidine?
The canonical SMILES for 1-heptan-4-yl-2-pyrrolidin-2-ylpyrrolidine is CCCC(CCC)N1CCCC1C1CCCN1.
What is the InChIKey of 1-heptan-4-yl-2-pyrrolidin-2-ylpyrrolidine?
The InChIKey is RUZQPXZUAOTDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-3-7-13(8-4-2)17-12-6-10-15(17)14-9-5-11-16-14/h13-16H,3-12H2,1-2H3.
What are the key properties of 1-heptan-4-yl-2-pyrrolidin-2-ylpyrrolidine?
1-heptan-4-yl-2-pyrrolidin-2-ylpyrrolidine has a molecular weight of 238.42 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptan-4-yl-2-pyrrolidin-2-ylpyrrolidine is sourced from PubChem (CID 62274223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).