1-(4,5-dihydro-1H-imidazol-2-ylamino)-4-methylpentan-3-one

C9H17N3O — CID 58774108

IUPAC1-(4,5-dihydro-1H-imidazol-2-ylamino)-4-methylpentan-3-one
SMILESCC(C)C(=O)CCNC1=NCCN1
InChIInChI=1S/C9H17N3O/c1-7(2)8(13)3-4-10-9-11-5-6-12-9/h7H,3-6H2,1-2H3,(H2,10,11,12)
InChIKeyNBZCTHDKAZFIFG-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.15
Rot. Bonds4

About 1-(4,5-dihydro-1H-imidazol-2-ylamino)-4-methylpentan-3-one

1-(4,5-dihydro-1H-imidazol-2-ylamino)-4-methylpentan-3-one (PubChem CID 58774108) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(4,5-dihydro-1H-imidazol-2-ylamino)-4-methylpentan-3-one.

Molecular Properties

Compound Name1-(4,5-dihydro-1H-imidazol-2-ylamino)-4-methylpentan-3-one
PubChem CID58774108
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-(4,5-dihydro-1H-imidazol-2-ylamino)-4-methylpentan-3-one
SMILESCC(C)C(=O)CCNC1=NCCN1
InChIInChI=1S/C9H17N3O/c1-7(2)8(13)3-4-10-9-11-5-6-12-9/h7H,3-6H2,1-2H3,(H2,10,11,12)
InChIKeyNBZCTHDKAZFIFG-UHFFFAOYSA-N
XLogP0.15
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-ylamino)-4-methylpentan-3-one?
The IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-ylamino)-4-methylpentan-3-one (CID 58774108) is 1-(4,5-dihydro-1H-imidazol-2-ylamino)-4-methylpentan-3-one.
What is the SMILES notation for 1-(4,5-dihydro-1H-imidazol-2-ylamino)-4-methylpentan-3-one?
The canonical SMILES for 1-(4,5-dihydro-1H-imidazol-2-ylamino)-4-methylpentan-3-one is CC(C)C(=O)CCNC1=NCCN1.
What is the InChIKey of 1-(4,5-dihydro-1H-imidazol-2-ylamino)-4-methylpentan-3-one?
The InChIKey is NBZCTHDKAZFIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-7(2)8(13)3-4-10-9-11-5-6-12-9/h7H,3-6H2,1-2H3,(H2,10,11,12).
What are the key properties of 1-(4,5-dihydro-1H-imidazol-2-ylamino)-4-methylpentan-3-one?
1-(4,5-dihydro-1H-imidazol-2-ylamino)-4-methylpentan-3-one has a molecular weight of 183.25 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1H-imidazol-2-ylamino)-4-methylpentan-3-one is sourced from PubChem (CID 58774108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).