1-cyclohexyl-3-heptan-2-ylimidazolidine

C16H32N2 — CID 71072154

IUPAC1-cyclohexyl-3-heptan-2-ylimidazolidine
SMILESCCCCCC(C)N1CCN(C2CCCCC2)C1
InChIInChI=1S/C16H32N2/c1-3-4-6-9-15(2)17-12-13-18(14-17)16-10-7-5-8-11-16/h15-16H,3-14H2,1-2H3
InChIKeyBJYAKUDVXDQAPY-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.86
Rot. Bonds6

About 1-cyclohexyl-3-heptan-2-ylimidazolidine

1-cyclohexyl-3-heptan-2-ylimidazolidine (PubChem CID 71072154) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-cyclohexyl-3-heptan-2-ylimidazolidine.

Molecular Properties

Compound Name1-cyclohexyl-3-heptan-2-ylimidazolidine
PubChem CID71072154
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-cyclohexyl-3-heptan-2-ylimidazolidine
SMILESCCCCCC(C)N1CCN(C2CCCCC2)C1
InChIInChI=1S/C16H32N2/c1-3-4-6-9-15(2)17-12-13-18(14-17)16-10-7-5-8-11-16/h15-16H,3-14H2,1-2H3
InChIKeyBJYAKUDVXDQAPY-UHFFFAOYSA-N
XLogP3.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-heptan-2-ylimidazolidine?
The IUPAC name of 1-cyclohexyl-3-heptan-2-ylimidazolidine (CID 71072154) is 1-cyclohexyl-3-heptan-2-ylimidazolidine.
What is the SMILES notation for 1-cyclohexyl-3-heptan-2-ylimidazolidine?
The canonical SMILES for 1-cyclohexyl-3-heptan-2-ylimidazolidine is CCCCCC(C)N1CCN(C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-3-heptan-2-ylimidazolidine?
The InChIKey is BJYAKUDVXDQAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-3-4-6-9-15(2)17-12-13-18(14-17)16-10-7-5-8-11-16/h15-16H,3-14H2,1-2H3.
What are the key properties of 1-cyclohexyl-3-heptan-2-ylimidazolidine?
1-cyclohexyl-3-heptan-2-ylimidazolidine has a molecular weight of 252.45 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-heptan-2-ylimidazolidine is sourced from PubChem (CID 71072154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).