1-(4-aminocyclohexyl)-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one

C14H26N4O — CID 116979324

IUPAC1-(4-aminocyclohexyl)-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one
SMILESCN1CCC(C2CN(C3CCC(N)CC3)C(=O)N2)C1
InChIInChI=1S/C14H26N4O/c1-17-7-6-10(8-17)13-9-18(14(19)16-13)12-4-2-11(15)3-5-12/h10-13H,2-9,15H2,1H3,(H,16,19)
InChIKeyXRJSVVQTNLVSSQ-UHFFFAOYSA-N
MW266.39 g/mol
LogP0.60
Rot. Bonds2

About 1-(4-aminocyclohexyl)-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one

1-(4-aminocyclohexyl)-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one (PubChem CID 116979324) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one
PubChem CID116979324
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name1-(4-aminocyclohexyl)-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one
SMILESCN1CCC(C2CN(C3CCC(N)CC3)C(=O)N2)C1
InChIInChI=1S/C14H26N4O/c1-17-7-6-10(8-17)13-9-18(14(19)16-13)12-4-2-11(15)3-5-12/h10-13H,2-9,15H2,1H3,(H,16,19)
InChIKeyXRJSVVQTNLVSSQ-UHFFFAOYSA-N
XLogP0.60
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one?
The IUPAC name of 1-(4-aminocyclohexyl)-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one (CID 116979324) is 1-(4-aminocyclohexyl)-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one.
What is the SMILES notation for 1-(4-aminocyclohexyl)-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one?
The canonical SMILES for 1-(4-aminocyclohexyl)-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one is CN1CCC(C2CN(C3CCC(N)CC3)C(=O)N2)C1.
What is the InChIKey of 1-(4-aminocyclohexyl)-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one?
The InChIKey is XRJSVVQTNLVSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-17-7-6-10(8-17)13-9-18(14(19)16-13)12-4-2-11(15)3-5-12/h10-13H,2-9,15H2,1H3,(H,16,19).
What are the key properties of 1-(4-aminocyclohexyl)-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one?
1-(4-aminocyclohexyl)-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one has a molecular weight of 266.39 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one is sourced from PubChem (CID 116979324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).