1-(6-amino-5,5-dimethylhexyl)-3-propylimidazol-2-one

C14H27N3O — CID 106708444

IUPAC1-(6-amino-5,5-dimethylhexyl)-3-propylimidazol-2-one
SMILESCCCn1ccn(CCCCC(C)(C)CN)c1=O
InChIInChI=1S/C14H27N3O/c1-4-8-16-10-11-17(13(16)18)9-6-5-7-14(2,3)12-15/h10-11H,4-9,12,15H2,1-3H3
InChIKeyYFSNZZDHUZKPGY-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.21
Rot. Bonds8

About 1-(6-amino-5,5-dimethylhexyl)-3-propylimidazol-2-one

1-(6-amino-5,5-dimethylhexyl)-3-propylimidazol-2-one (PubChem CID 106708444) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(6-amino-5,5-dimethylhexyl)-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-(6-amino-5,5-dimethylhexyl)-3-propylimidazol-2-one
PubChem CID106708444
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-(6-amino-5,5-dimethylhexyl)-3-propylimidazol-2-one
SMILESCCCn1ccn(CCCCC(C)(C)CN)c1=O
InChIInChI=1S/C14H27N3O/c1-4-8-16-10-11-17(13(16)18)9-6-5-7-14(2,3)12-15/h10-11H,4-9,12,15H2,1-3H3
InChIKeyYFSNZZDHUZKPGY-UHFFFAOYSA-N
XLogP2.21
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-5,5-dimethylhexyl)-3-propylimidazol-2-one?
The IUPAC name of 1-(6-amino-5,5-dimethylhexyl)-3-propylimidazol-2-one (CID 106708444) is 1-(6-amino-5,5-dimethylhexyl)-3-propylimidazol-2-one.
What is the SMILES notation for 1-(6-amino-5,5-dimethylhexyl)-3-propylimidazol-2-one?
The canonical SMILES for 1-(6-amino-5,5-dimethylhexyl)-3-propylimidazol-2-one is CCCn1ccn(CCCCC(C)(C)CN)c1=O.
What is the InChIKey of 1-(6-amino-5,5-dimethylhexyl)-3-propylimidazol-2-one?
The InChIKey is YFSNZZDHUZKPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-4-8-16-10-11-17(13(16)18)9-6-5-7-14(2,3)12-15/h10-11H,4-9,12,15H2,1-3H3.
What are the key properties of 1-(6-amino-5,5-dimethylhexyl)-3-propylimidazol-2-one?
1-(6-amino-5,5-dimethylhexyl)-3-propylimidazol-2-one has a molecular weight of 253.39 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-5,5-dimethylhexyl)-3-propylimidazol-2-one is sourced from PubChem (CID 106708444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).