2-chloro-1,3-dicyclohexylimidazolidine

C15H27ClN2 — CID 70186131

IUPAC2-chloro-1,3-dicyclohexylimidazolidine
SMILESClC1N(C2CCCCC2)CCN1C1CCCCC1
InChIInChI=1S/C15H27ClN2/c16-15-17(13-7-3-1-4-8-13)11-12-18(15)14-9-5-2-6-10-14/h13-15H,1-12H2
InChIKeyPXUBXGSPSZFUOT-UHFFFAOYSA-N
MW270.85 g/mol
LogP3.79
Rot. Bonds2

About 2-chloro-1,3-dicyclohexylimidazolidine

2-chloro-1,3-dicyclohexylimidazolidine (PubChem CID 70186131) has the molecular formula C15H27ClN2 and a molecular weight of 270.85 g/mol. Its IUPAC name is 2-chloro-1,3-dicyclohexylimidazolidine.

Molecular Properties

Compound Name2-chloro-1,3-dicyclohexylimidazolidine
PubChem CID70186131
Molecular FormulaC15H27ClN2
Molecular Weight270.85 g/mol
Exact Mass270.19
IUPAC Name2-chloro-1,3-dicyclohexylimidazolidine
SMILESClC1N(C2CCCCC2)CCN1C1CCCCC1
InChIInChI=1S/C15H27ClN2/c16-15-17(13-7-3-1-4-8-13)11-12-18(15)14-9-5-2-6-10-14/h13-15H,1-12H2
InChIKeyPXUBXGSPSZFUOT-UHFFFAOYSA-N
XLogP3.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.85
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,3-dicyclohexylimidazolidine?
The IUPAC name of 2-chloro-1,3-dicyclohexylimidazolidine (CID 70186131) is 2-chloro-1,3-dicyclohexylimidazolidine.
What is the SMILES notation for 2-chloro-1,3-dicyclohexylimidazolidine?
The canonical SMILES for 2-chloro-1,3-dicyclohexylimidazolidine is ClC1N(C2CCCCC2)CCN1C1CCCCC1.
What is the InChIKey of 2-chloro-1,3-dicyclohexylimidazolidine?
The InChIKey is PXUBXGSPSZFUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClN2/c16-15-17(13-7-3-1-4-8-13)11-12-18(15)14-9-5-2-6-10-14/h13-15H,1-12H2.
What are the key properties of 2-chloro-1,3-dicyclohexylimidazolidine?
2-chloro-1,3-dicyclohexylimidazolidine has a molecular weight of 270.85 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,3-dicyclohexylimidazolidine is sourced from PubChem (CID 70186131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).