1-[2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxyethyl]imidazolidin-2-one

C15H29N3O2 — CID 65052470

IUPAC1-[2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxyethyl]imidazolidin-2-one
SMILESCC(C)C1CCC(CN)(OCCN2CCNC2=O)CC1
InChIInChI=1S/C15H29N3O2/c1-12(2)13-3-5-15(11-16,6-4-13)20-10-9-18-8-7-17-14(18)19/h12-13H,3-11,16H2,1-2H3,(H,17,19)
InChIKeyZXSBSWMIDMAAHN-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.57
Rot. Bonds6

About 1-[2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxyethyl]imidazolidin-2-one

1-[2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxyethyl]imidazolidin-2-one (PubChem CID 65052470) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-[2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxyethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxyethyl]imidazolidin-2-one
PubChem CID65052470
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name1-[2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxyethyl]imidazolidin-2-one
SMILESCC(C)C1CCC(CN)(OCCN2CCNC2=O)CC1
InChIInChI=1S/C15H29N3O2/c1-12(2)13-3-5-15(11-16,6-4-13)20-10-9-18-8-7-17-14(18)19/h12-13H,3-11,16H2,1-2H3,(H,17,19)
InChIKeyZXSBSWMIDMAAHN-UHFFFAOYSA-N
XLogP1.57
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxyethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxyethyl]imidazolidin-2-one (CID 65052470) is 1-[2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxyethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxyethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxyethyl]imidazolidin-2-one is CC(C)C1CCC(CN)(OCCN2CCNC2=O)CC1.
What is the InChIKey of 1-[2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxyethyl]imidazolidin-2-one?
The InChIKey is ZXSBSWMIDMAAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-12(2)13-3-5-15(11-16,6-4-13)20-10-9-18-8-7-17-14(18)19/h12-13H,3-11,16H2,1-2H3,(H,17,19).
What are the key properties of 1-[2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxyethyl]imidazolidin-2-one?
1-[2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxyethyl]imidazolidin-2-one has a molecular weight of 283.42 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxyethyl]imidazolidin-2-one is sourced from PubChem (CID 65052470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).