1-(3-propan-2-ylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine

C17H32N2 — CID 107449492

IUPAC1-(3-propan-2-ylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine
SMILESCC(C)C1CCCC(N2CCCC2C2CCCN2)C1
InChIInChI=1S/C17H32N2/c1-13(2)14-6-3-7-15(12-14)19-11-5-9-17(19)16-8-4-10-18-16/h13-18H,3-12H2,1-2H3
InChIKeyQNBFXOXONGYVQV-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.42
Rot. Bonds3

About 1-(3-propan-2-ylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine

1-(3-propan-2-ylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine (PubChem CID 107449492) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 1-(3-propan-2-ylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine.

Molecular Properties

Compound Name1-(3-propan-2-ylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine
PubChem CID107449492
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name1-(3-propan-2-ylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine
SMILESCC(C)C1CCCC(N2CCCC2C2CCCN2)C1
InChIInChI=1S/C17H32N2/c1-13(2)14-6-3-7-15(12-14)19-11-5-9-17(19)16-8-4-10-18-16/h13-18H,3-12H2,1-2H3
InChIKeyQNBFXOXONGYVQV-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-2-pyrrolidin-2-ylpiperidine
CID 63935777
1-(2-methoxycyclohexyl)-2-pyrrolidin-2-ylpyrrolidine
CID 106873240
1-(2,4-dimethylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine
CID 64756807
(4aS,7aS)-4-cyclopentyl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
CID 124676086
2-pyrrolidin-2-yl-1-(thian-4-yl)pyrrolidine
CID 62274739
1-(4-tert-butylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine
CID 62275570
2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)cyclohexan-1-ol
CID 62273749
1-propyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)azepane
CID 65078027
1-(4-ethylcycloheptyl)-2-pyrrolidin-2-ylpiperidine
CID 65085970
4-cyclopropyl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
CID 102571366
1-propyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)piperidine
CID 62273006
2-pyrrolidin-2-yl-1-(thian-3-yl)piperidine
CID 63256447

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-ylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine?
The IUPAC name of 1-(3-propan-2-ylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine (CID 107449492) is 1-(3-propan-2-ylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine.
What is the SMILES notation for 1-(3-propan-2-ylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine?
The canonical SMILES for 1-(3-propan-2-ylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine is CC(C)C1CCCC(N2CCCC2C2CCCN2)C1.
What is the InChIKey of 1-(3-propan-2-ylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine?
The InChIKey is QNBFXOXONGYVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-13(2)14-6-3-7-15(12-14)19-11-5-9-17(19)16-8-4-10-18-16/h13-18H,3-12H2,1-2H3.
What are the key properties of 1-(3-propan-2-ylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine?
1-(3-propan-2-ylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine has a molecular weight of 264.46 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-ylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine is sourced from PubChem (CID 107449492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).