1-[2-[(4-aminocyclohexyl)-propylamino]ethyl]imidazolidin-2-one

C14H28N4O — CID 79111806

IUPAC1-[2-[(4-aminocyclohexyl)-propylamino]ethyl]imidazolidin-2-one
SMILESCCCN(CCN1CCNC1=O)C1CCC(N)CC1
InChIInChI=1S/C14H28N4O/c1-2-8-17(13-5-3-12(15)4-6-13)10-11-18-9-7-16-14(18)19/h12-13H,2-11,15H2,1H3,(H,16,19)
InChIKeyVIDOZANIUTXOCV-UHFFFAOYSA-N
MW268.40 g/mol
LogP0.99
Rot. Bonds6

About 1-[2-[(4-aminocyclohexyl)-propylamino]ethyl]imidazolidin-2-one

1-[2-[(4-aminocyclohexyl)-propylamino]ethyl]imidazolidin-2-one (PubChem CID 79111806) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[2-[(4-aminocyclohexyl)-propylamino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(4-aminocyclohexyl)-propylamino]ethyl]imidazolidin-2-one
PubChem CID79111806
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name1-[2-[(4-aminocyclohexyl)-propylamino]ethyl]imidazolidin-2-one
SMILESCCCN(CCN1CCNC1=O)C1CCC(N)CC1
InChIInChI=1S/C14H28N4O/c1-2-8-17(13-5-3-12(15)4-6-13)10-11-18-9-7-16-14(18)19/h12-13H,2-11,15H2,1H3,(H,16,19)
InChIKeyVIDOZANIUTXOCV-UHFFFAOYSA-N
XLogP0.99
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-aminocyclohexyl)-propylamino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(4-aminocyclohexyl)-propylamino]ethyl]imidazolidin-2-one (CID 79111806) is 1-[2-[(4-aminocyclohexyl)-propylamino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(4-aminocyclohexyl)-propylamino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(4-aminocyclohexyl)-propylamino]ethyl]imidazolidin-2-one is CCCN(CCN1CCNC1=O)C1CCC(N)CC1.
What is the InChIKey of 1-[2-[(4-aminocyclohexyl)-propylamino]ethyl]imidazolidin-2-one?
The InChIKey is VIDOZANIUTXOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-2-8-17(13-5-3-12(15)4-6-13)10-11-18-9-7-16-14(18)19/h12-13H,2-11,15H2,1H3,(H,16,19).
What are the key properties of 1-[2-[(4-aminocyclohexyl)-propylamino]ethyl]imidazolidin-2-one?
1-[2-[(4-aminocyclohexyl)-propylamino]ethyl]imidazolidin-2-one has a molecular weight of 268.40 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-aminocyclohexyl)-propylamino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 79111806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).