1,3-dicyclohexylimidazolidin-1-ium chloride

C15H29ClN2 — CID 66589420

IUPAC1,3-dicyclohexylimidazolidin-1-ium chloride
SMILESC1CCC(N2CC[NH+](C3CCCCC3)C2)CC1.[Cl-]
InChIInChI=1S/C15H28N2.ClH/c1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;/h14-15H,1-13H2;1H
InChIKeyNCJDDKWHXVXKIQ-UHFFFAOYSA-N
MW272.86 g/mol
LogP-1.19
Rot. Bonds2

About 1,3-dicyclohexylimidazolidin-1-ium chloride

1,3-dicyclohexylimidazolidin-1-ium chloride (PubChem CID 66589420) has the molecular formula C15H29ClN2 and a molecular weight of 272.86 g/mol. Its IUPAC name is 1,3-dicyclohexylimidazolidin-1-ium chloride.

Molecular Properties

Compound Name1,3-dicyclohexylimidazolidin-1-ium chloride
PubChem CID66589420
Molecular FormulaC15H29ClN2
Molecular Weight272.86 g/mol
Exact Mass272.20
IUPAC Name1,3-dicyclohexylimidazolidin-1-ium chloride
SMILESC1CCC(N2CC[NH+](C3CCCCC3)C2)CC1.[Cl-]
InChIInChI=1S/C15H28N2.ClH/c1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;/h14-15H,1-13H2;1H
InChIKeyNCJDDKWHXVXKIQ-UHFFFAOYSA-N
XLogP-1.19
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.86
LogP ≤ 5-1.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclohexylimidazolidin-1-ium chloride?
The IUPAC name of 1,3-dicyclohexylimidazolidin-1-ium chloride (CID 66589420) is 1,3-dicyclohexylimidazolidin-1-ium chloride.
What is the SMILES notation for 1,3-dicyclohexylimidazolidin-1-ium chloride?
The canonical SMILES for 1,3-dicyclohexylimidazolidin-1-ium chloride is C1CCC(N2CC[NH+](C3CCCCC3)C2)CC1.[Cl-].
What is the InChIKey of 1,3-dicyclohexylimidazolidin-1-ium chloride?
The InChIKey is NCJDDKWHXVXKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2.ClH/c1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;/h14-15H,1-13H2;1H.
What are the key properties of 1,3-dicyclohexylimidazolidin-1-ium chloride?
1,3-dicyclohexylimidazolidin-1-ium chloride has a molecular weight of 272.86 g/mol, XLogP of -1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexylimidazolidin-1-ium chloride is sourced from PubChem (CID 66589420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).