1-(2,4-dimethylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine

C16H30N2 — CID 64756807

IUPAC1-(2,4-dimethylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine
SMILESCC1CCC(N2CCCC2C2CCCN2)C(C)C1
InChIInChI=1S/C16H30N2/c1-12-7-8-15(13(2)11-12)18-10-4-6-16(18)14-5-3-9-17-14/h12-17H,3-11H2,1-2H3
InChIKeyUDNLCOQLOAUBDN-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.03
Rot. Bonds2

About 1-(2,4-dimethylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine

1-(2,4-dimethylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine (PubChem CID 64756807) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-(2,4-dimethylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine.

Molecular Properties

Compound Name1-(2,4-dimethylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine
PubChem CID64756807
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1-(2,4-dimethylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine
SMILESCC1CCC(N2CCCC2C2CCCN2)C(C)C1
InChIInChI=1S/C16H30N2/c1-12-7-8-15(13(2)11-12)18-10-4-6-16(18)14-5-3-9-17-14/h12-17H,3-11H2,1-2H3
InChIKeyUDNLCOQLOAUBDN-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine?
The IUPAC name of 1-(2,4-dimethylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine (CID 64756807) is 1-(2,4-dimethylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine.
What is the SMILES notation for 1-(2,4-dimethylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine?
The canonical SMILES for 1-(2,4-dimethylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine is CC1CCC(N2CCCC2C2CCCN2)C(C)C1.
What is the InChIKey of 1-(2,4-dimethylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine?
The InChIKey is UDNLCOQLOAUBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-12-7-8-15(13(2)11-12)18-10-4-6-16(18)14-5-3-9-17-14/h12-17H,3-11H2,1-2H3.
What are the key properties of 1-(2,4-dimethylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine?
1-(2,4-dimethylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine has a molecular weight of 250.43 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine is sourced from PubChem (CID 64756807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).