1-[2-[[2-(aminomethyl)cyclohexyl]methoxy]ethyl]imidazolidin-2-one

C13H25N3O2 — CID 106938440

IUPAC1-[2-[[2-(aminomethyl)cyclohexyl]methoxy]ethyl]imidazolidin-2-one
SMILESNCC1CCCCC1COCCN1CCNC1=O
InChIInChI=1S/C13H25N3O2/c14-9-11-3-1-2-4-12(11)10-18-8-7-16-6-5-15-13(16)17/h11-12H,1-10,14H2,(H,15,17)
InChIKeyCXBFRVMHLODBPD-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.79
Rot. Bonds6

About 1-[2-[[2-(aminomethyl)cyclohexyl]methoxy]ethyl]imidazolidin-2-one

1-[2-[[2-(aminomethyl)cyclohexyl]methoxy]ethyl]imidazolidin-2-one (PubChem CID 106938440) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[2-[[2-(aminomethyl)cyclohexyl]methoxy]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[2-(aminomethyl)cyclohexyl]methoxy]ethyl]imidazolidin-2-one
PubChem CID106938440
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-[2-[[2-(aminomethyl)cyclohexyl]methoxy]ethyl]imidazolidin-2-one
SMILESNCC1CCCCC1COCCN1CCNC1=O
InChIInChI=1S/C13H25N3O2/c14-9-11-3-1-2-4-12(11)10-18-8-7-16-6-5-15-13(16)17/h11-12H,1-10,14H2,(H,15,17)
InChIKeyCXBFRVMHLODBPD-UHFFFAOYSA-N
XLogP0.79
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Cyclohexyl-2-ethenoxyethyl)imidazolidin-2-one
CID 154187364
1-[2-[1-(Aminomethyl)-4-methylcyclohexyl]oxyethyl]imidazolidin-2-one
CID 65050508
1-[2-[1-(Aminomethyl)cyclohexyl]oxyethyl]imidazolidin-2-one
CID 65050826
1-[2-[1-(Aminomethyl)cycloheptyl]oxyethyl]imidazolidin-2-one
CID 65051638
1-[2-[1-(Aminomethyl)-4-propan-2-ylcyclohexyl]oxyethyl]imidazolidin-2-one
CID 65052470
1-[2-[1-(Aminomethyl)-4-propylcyclohexyl]oxyethyl]imidazolidin-2-one
CID 65052804
1-[2-[1-(Aminomethyl)-4-ethylcyclohexyl]oxyethyl]imidazolidin-2-one
CID 65052842
1-[2-[[2-(Hydroxymethyl)cyclohexyl]methylamino]ethyl]imidazolidin-2-one
CID 65904953
1-[2-(2-Piperidin-3-ylethoxy)ethyl]imidazolidin-2-one
CID 106938128
1-[2-[(1-Aminocycloheptyl)methoxy]ethyl]imidazolidin-2-one
CID 106938343
1-[2-[[2-(Aminomethyl)cyclopentyl]methoxy]ethyl]imidazolidin-2-one
CID 106938474
1-[2-[(1-Aminocyclohexyl)methoxy]ethyl]imidazolidin-2-one
CID 113895251

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-(aminomethyl)cyclohexyl]methoxy]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[2-(aminomethyl)cyclohexyl]methoxy]ethyl]imidazolidin-2-one (CID 106938440) is 1-[2-[[2-(aminomethyl)cyclohexyl]methoxy]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[[2-(aminomethyl)cyclohexyl]methoxy]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[2-(aminomethyl)cyclohexyl]methoxy]ethyl]imidazolidin-2-one is NCC1CCCCC1COCCN1CCNC1=O.
What is the InChIKey of 1-[2-[[2-(aminomethyl)cyclohexyl]methoxy]ethyl]imidazolidin-2-one?
The InChIKey is CXBFRVMHLODBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c14-9-11-3-1-2-4-12(11)10-18-8-7-16-6-5-15-13(16)17/h11-12H,1-10,14H2,(H,15,17).
What are the key properties of 1-[2-[[2-(aminomethyl)cyclohexyl]methoxy]ethyl]imidazolidin-2-one?
1-[2-[[2-(aminomethyl)cyclohexyl]methoxy]ethyl]imidazolidin-2-one has a molecular weight of 255.36 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(aminomethyl)cyclohexyl]methoxy]ethyl]imidazolidin-2-one is sourced from PubChem (CID 106938440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).