1-[1-(aminomethyl)-3-methylcyclohexyl]imidazolidin-2-one

C11H21N3O — CID 63763914

IUPAC1-[1-(aminomethyl)-3-methylcyclohexyl]imidazolidin-2-one
SMILESCC1CCCC(CN)(N2CCNC2=O)C1
InChIInChI=1S/C11H21N3O/c1-9-3-2-4-11(7-9,8-12)14-6-5-13-10(14)15/h9H,2-8,12H2,1H3,(H,13,15)
InChIKeyGSNFZVKNVDWVQX-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.92
Rot. Bonds2

About 1-[1-(aminomethyl)-3-methylcyclohexyl]imidazolidin-2-one

1-[1-(aminomethyl)-3-methylcyclohexyl]imidazolidin-2-one (PubChem CID 63763914) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-3-methylcyclohexyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(aminomethyl)-3-methylcyclohexyl]imidazolidin-2-one
PubChem CID63763914
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-[1-(aminomethyl)-3-methylcyclohexyl]imidazolidin-2-one
SMILESCC1CCCC(CN)(N2CCNC2=O)C1
InChIInChI=1S/C11H21N3O/c1-9-3-2-4-11(7-9,8-12)14-6-5-13-10(14)15/h9H,2-8,12H2,1H3,(H,13,15)
InChIKeyGSNFZVKNVDWVQX-UHFFFAOYSA-N
XLogP0.92
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-3-methylcyclohexyl]imidazolidin-2-one?
The IUPAC name of 1-[1-(aminomethyl)-3-methylcyclohexyl]imidazolidin-2-one (CID 63763914) is 1-[1-(aminomethyl)-3-methylcyclohexyl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-(aminomethyl)-3-methylcyclohexyl]imidazolidin-2-one?
The canonical SMILES for 1-[1-(aminomethyl)-3-methylcyclohexyl]imidazolidin-2-one is CC1CCCC(CN)(N2CCNC2=O)C1.
What is the InChIKey of 1-[1-(aminomethyl)-3-methylcyclohexyl]imidazolidin-2-one?
The InChIKey is GSNFZVKNVDWVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9-3-2-4-11(7-9,8-12)14-6-5-13-10(14)15/h9H,2-8,12H2,1H3,(H,13,15).
What are the key properties of 1-[1-(aminomethyl)-3-methylcyclohexyl]imidazolidin-2-one?
1-[1-(aminomethyl)-3-methylcyclohexyl]imidazolidin-2-one has a molecular weight of 211.31 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-3-methylcyclohexyl]imidazolidin-2-one is sourced from PubChem (CID 63763914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).