1-(4-tert-butylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine

C18H34N2 — CID 62275570

IUPAC1-(4-tert-butylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine
SMILESCC(C)(C)C1CCC(N2CCCC2C2CCCN2)CC1
InChIInChI=1S/C18H34N2/c1-18(2,3)14-8-10-15(11-9-14)20-13-5-7-17(20)16-6-4-12-19-16/h14-17,19H,4-13H2,1-3H3
InChIKeyRLCRWHRFDYXWCV-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.81
Rot. Bonds2

About 1-(4-tert-butylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine

1-(4-tert-butylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine (PubChem CID 62275570) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine
PubChem CID62275570
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name1-(4-tert-butylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine
SMILESCC(C)(C)C1CCC(N2CCCC2C2CCCN2)CC1
InChIInChI=1S/C18H34N2/c1-18(2,3)14-8-10-15(11-9-14)20-13-5-7-17(20)16-6-4-12-19-16/h14-17,19H,4-13H2,1-3H3
InChIKeyRLCRWHRFDYXWCV-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-2-pyrrolidin-2-ylpiperidine
CID 63935777
2-pyrrolidin-2-yl-1-(thian-4-yl)pyrrolidine
CID 62274739
4-cyclopropyl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
CID 102571366
1-(4-ethylcycloheptyl)-2-pyrrolidin-2-ylpiperidine
CID 65085970
1-propyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)piperidine
CID 62273006
1-propyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)azepane
CID 65078027
2-pyrrolidin-2-yl-1-spiro[4.5]decan-8-ylpiperidine
CID 114818840
(4aS,7aS)-4-cyclopentyl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
CID 124676086
1-(3-propan-2-ylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine
CID 107449492
2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)cyclohexan-1-ol
CID 62273749
1-(2-methoxycyclohexyl)-2-pyrrolidin-2-ylpyrrolidine
CID 106873240
1-(2,4-dimethylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine
CID 64756807

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine (CID 62275570) is 1-(4-tert-butylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine is CC(C)(C)C1CCC(N2CCCC2C2CCCN2)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine?
The InChIKey is RLCRWHRFDYXWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-18(2,3)14-8-10-15(11-9-14)20-13-5-7-17(20)16-6-4-12-19-16/h14-17,19H,4-13H2,1-3H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine?
1-(4-tert-butylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine has a molecular weight of 278.48 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine is sourced from PubChem (CID 62275570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).