1-[2-[(1-hydroxycycloheptyl)methylamino]ethyl]imidazolidin-2-one

C13H25N3O2 — CID 65122528

IUPAC1-[2-[(1-hydroxycycloheptyl)methylamino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNCC1(O)CCCCCC1
InChIInChI=1S/C13H25N3O2/c17-12-15-8-10-16(12)9-7-14-11-13(18)5-3-1-2-4-6-13/h14,18H,1-11H2,(H,15,17)
InChIKeyHLUXIOYDXJEQCO-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.69
Rot. Bonds5

About 1-[2-[(1-hydroxycycloheptyl)methylamino]ethyl]imidazolidin-2-one

1-[2-[(1-hydroxycycloheptyl)methylamino]ethyl]imidazolidin-2-one (PubChem CID 65122528) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[2-[(1-hydroxycycloheptyl)methylamino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(1-hydroxycycloheptyl)methylamino]ethyl]imidazolidin-2-one
PubChem CID65122528
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-[2-[(1-hydroxycycloheptyl)methylamino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNCC1(O)CCCCCC1
InChIInChI=1S/C13H25N3O2/c17-12-15-8-10-16(12)9-7-14-11-13(18)5-3-1-2-4-6-13/h14,18H,1-11H2,(H,15,17)
InChIKeyHLUXIOYDXJEQCO-UHFFFAOYSA-N
XLogP0.69
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[2-[(1-hydroxycycloheptyl)methylamino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(1-hydroxycycloheptyl)methylamino]ethyl]imidazolidin-2-one (CID 65122528) is 1-[2-[(1-hydroxycycloheptyl)methylamino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(1-hydroxycycloheptyl)methylamino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(1-hydroxycycloheptyl)methylamino]ethyl]imidazolidin-2-one is O=C1NCCN1CCNCC1(O)CCCCCC1.
What is the InChIKey of 1-[2-[(1-hydroxycycloheptyl)methylamino]ethyl]imidazolidin-2-one?
The InChIKey is HLUXIOYDXJEQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c17-12-15-8-10-16(12)9-7-14-11-13(18)5-3-1-2-4-6-13/h14,18H,1-11H2,(H,15,17).
What are the key properties of 1-[2-[(1-hydroxycycloheptyl)methylamino]ethyl]imidazolidin-2-one?
1-[2-[(1-hydroxycycloheptyl)methylamino]ethyl]imidazolidin-2-one has a molecular weight of 255.36 g/mol, XLogP of 0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-hydroxycycloheptyl)methylamino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 65122528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).