2-(cyclopropylamino)-6-(4,5-dimethylimidazol-1-yl)-2-methylhexanamide

C15H26N4O — CID 62350978

IUPAC2-(cyclopropylamino)-6-(4,5-dimethylimidazol-1-yl)-2-methylhexanamide
SMILESCc1ncn(CCCCC(C)(NC2CC2)C(N)=O)c1C
InChIInChI=1S/C15H26N4O/c1-11-12(2)19(10-17-11)9-5-4-8-15(3,14(16)20)18-13-6-7-13/h10,13,18H,4-9H2,1-3H3,(H2,16,20)
InChIKeyQMJAXJGJAGWGOO-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.67
Rot. Bonds8

About 2-(cyclopropylamino)-6-(4,5-dimethylimidazol-1-yl)-2-methylhexanamide

2-(cyclopropylamino)-6-(4,5-dimethylimidazol-1-yl)-2-methylhexanamide (PubChem CID 62350978) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(cyclopropylamino)-6-(4,5-dimethylimidazol-1-yl)-2-methylhexanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-6-(4,5-dimethylimidazol-1-yl)-2-methylhexanamide
PubChem CID62350978
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-(cyclopropylamino)-6-(4,5-dimethylimidazol-1-yl)-2-methylhexanamide
SMILESCc1ncn(CCCCC(C)(NC2CC2)C(N)=O)c1C
InChIInChI=1S/C15H26N4O/c1-11-12(2)19(10-17-11)9-5-4-8-15(3,14(16)20)18-13-6-7-13/h10,13,18H,4-9H2,1-3H3,(H2,16,20)
InChIKeyQMJAXJGJAGWGOO-UHFFFAOYSA-N
XLogP1.67
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-acetamido-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]pentanamide
CID 100066644
(2S)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-methylazepane-2-carboxamide
CID 129609068
2-[5-(Aminomethyl)-4-methylimidazol-1-yl]-3,3-dimethylbutanamide
CID 57255261
2-(4,5-dimethylimidazol-1-yl)-N-ethylpropanamide
CID 57255955
2-(4,5-dimethylimidazol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 55064595
5-(4,5-Dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanamide
CID 55064787
3-(4,5-Dimethylimidazol-1-yl)-2-methyl-2-(propylamino)propanamide
CID 55064837
N,N,4-trimethyl-2-[(5-methyl-1H-imidazol-4-yl)methylamino]pentanamide
CID 55114208
N-(1-cyano-1-cyclopropylethyl)-2-(4,5-dimethyl-1H-imidazol-1-yl)acetamide
CID 56789707
5-(4,5-Dimethylimidazol-1-yl)-2-methyl-2-(propylamino)pentanamide
CID 62349744
3-(4,5-dimethyl-1H-imidazol-1-yl)-2-[(propan-2-yl)amino]propanamide
CID 62349750
2-Amino-5-(4,5-dimethyl-1h-imidazol-1-yl)-2-methylpentanamide
CID 62349918

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-6-(4,5-dimethylimidazol-1-yl)-2-methylhexanamide?
The IUPAC name of 2-(cyclopropylamino)-6-(4,5-dimethylimidazol-1-yl)-2-methylhexanamide (CID 62350978) is 2-(cyclopropylamino)-6-(4,5-dimethylimidazol-1-yl)-2-methylhexanamide.
What is the SMILES notation for 2-(cyclopropylamino)-6-(4,5-dimethylimidazol-1-yl)-2-methylhexanamide?
The canonical SMILES for 2-(cyclopropylamino)-6-(4,5-dimethylimidazol-1-yl)-2-methylhexanamide is Cc1ncn(CCCCC(C)(NC2CC2)C(N)=O)c1C.
What is the InChIKey of 2-(cyclopropylamino)-6-(4,5-dimethylimidazol-1-yl)-2-methylhexanamide?
The InChIKey is QMJAXJGJAGWGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11-12(2)19(10-17-11)9-5-4-8-15(3,14(16)20)18-13-6-7-13/h10,13,18H,4-9H2,1-3H3,(H2,16,20).
What are the key properties of 2-(cyclopropylamino)-6-(4,5-dimethylimidazol-1-yl)-2-methylhexanamide?
2-(cyclopropylamino)-6-(4,5-dimethylimidazol-1-yl)-2-methylhexanamide has a molecular weight of 278.40 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-6-(4,5-dimethylimidazol-1-yl)-2-methylhexanamide is sourced from PubChem (CID 62350978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).