1-[2-[(3-amino-2,2-dimethylpropyl)-propylamino]ethyl]imidazolidin-2-one

C13H28N4O — CID 79661171

IUPAC1-[2-[(3-amino-2,2-dimethylpropyl)-propylamino]ethyl]imidazolidin-2-one
SMILESCCCN(CCN1CCNC1=O)CC(C)(C)CN
InChIInChI=1S/C13H28N4O/c1-4-6-16(11-13(2,3)10-14)8-9-17-7-5-15-12(17)18/h4-11,14H2,1-3H3,(H,15,18)
InChIKeySEMVXTJVAUPXCV-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.71
Rot. Bonds8

About 1-[2-[(3-amino-2,2-dimethylpropyl)-propylamino]ethyl]imidazolidin-2-one

1-[2-[(3-amino-2,2-dimethylpropyl)-propylamino]ethyl]imidazolidin-2-one (PubChem CID 79661171) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-[2-[(3-amino-2,2-dimethylpropyl)-propylamino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(3-amino-2,2-dimethylpropyl)-propylamino]ethyl]imidazolidin-2-one
PubChem CID79661171
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC Name1-[2-[(3-amino-2,2-dimethylpropyl)-propylamino]ethyl]imidazolidin-2-one
SMILESCCCN(CCN1CCNC1=O)CC(C)(C)CN
InChIInChI=1S/C13H28N4O/c1-4-6-16(11-13(2,3)10-14)8-9-17-7-5-15-12(17)18/h4-11,14H2,1-3H3,(H,15,18)
InChIKeySEMVXTJVAUPXCV-UHFFFAOYSA-N
XLogP0.71
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-amino-2,2-dimethylpropyl)-propylamino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(3-amino-2,2-dimethylpropyl)-propylamino]ethyl]imidazolidin-2-one (CID 79661171) is 1-[2-[(3-amino-2,2-dimethylpropyl)-propylamino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(3-amino-2,2-dimethylpropyl)-propylamino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(3-amino-2,2-dimethylpropyl)-propylamino]ethyl]imidazolidin-2-one is CCCN(CCN1CCNC1=O)CC(C)(C)CN.
What is the InChIKey of 1-[2-[(3-amino-2,2-dimethylpropyl)-propylamino]ethyl]imidazolidin-2-one?
The InChIKey is SEMVXTJVAUPXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-4-6-16(11-13(2,3)10-14)8-9-17-7-5-15-12(17)18/h4-11,14H2,1-3H3,(H,15,18).
What are the key properties of 1-[2-[(3-amino-2,2-dimethylpropyl)-propylamino]ethyl]imidazolidin-2-one?
1-[2-[(3-amino-2,2-dimethylpropyl)-propylamino]ethyl]imidazolidin-2-one has a molecular weight of 256.39 g/mol, XLogP of 0.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-amino-2,2-dimethylpropyl)-propylamino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 79661171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).