1-(4-butylcyclohexyl)pyrrolidine

C14H27N — CID 178017232

IUPAC1-(4-butylcyclohexyl)pyrrolidine
SMILESCCCCC1CCC(N2CCCC2)CC1
InChIInChI=1S/C14H27N/c1-2-3-6-13-7-9-14(10-8-13)15-11-4-5-12-15/h13-14H,2-12H2,1H3
InChIKeyJOHQKPFNBGQJOR-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.83
Rot. Bonds4

About 1-(4-butylcyclohexyl)pyrrolidine

1-(4-butylcyclohexyl)pyrrolidine (PubChem CID 178017232) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)pyrrolidine.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)pyrrolidine
PubChem CID178017232
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name1-(4-butylcyclohexyl)pyrrolidine
SMILESCCCCC1CCC(N2CCCC2)CC1
InChIInChI=1S/C14H27N/c1-2-3-6-13-7-9-14(10-8-13)15-11-4-5-12-15/h13-14H,2-12H2,1H3
InChIKeyJOHQKPFNBGQJOR-UHFFFAOYSA-N
XLogP3.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(2,2-dimethylpropyl)cyclohexyl]piperidine
CID 158827184
1-butyl-4-(2-cyclopentylethyl)cyclohexane
CID 157379859
4-(4-pentylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 12809532
1-(4-heptylcyclohexyl)-4-pyrrolidin-1-ylcyclohexane-1-carboxylic acid
CID 57220084
hexane;pentylcyclopropane
CID 159592467
1-butyl-4-(4-cyclopentylcyclohexyl)cyclohexane
CID 146793992
butane;bis(1-cyclohexylpyrrolidine);dihydrate
CID 175247747
1-butyl-4-propylcyclononane
CID 123467552
1-cyclopropylpiperidine
CID 10909573
5-butyl-1-cyclopropylpiperidin-3-amine
CID 83989261
1-butyl-4-ethylcyclohexane;methane
CID 145295190
(4-butylcyclohexyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616537

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)pyrrolidine?
The IUPAC name of 1-(4-butylcyclohexyl)pyrrolidine (CID 178017232) is 1-(4-butylcyclohexyl)pyrrolidine.
What is the SMILES notation for 1-(4-butylcyclohexyl)pyrrolidine?
The canonical SMILES for 1-(4-butylcyclohexyl)pyrrolidine is CCCCC1CCC(N2CCCC2)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)pyrrolidine?
The InChIKey is JOHQKPFNBGQJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-2-3-6-13-7-9-14(10-8-13)15-11-4-5-12-15/h13-14H,2-12H2,1H3.
What are the key properties of 1-(4-butylcyclohexyl)pyrrolidine?
1-(4-butylcyclohexyl)pyrrolidine has a molecular weight of 209.38 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)pyrrolidine is sourced from PubChem (CID 178017232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).