6-(4,5-dimethylimidazol-1-yl)-2,2-dimethylhexan-1-amine

C13H25N3 — CID 106708391

IUPAC6-(4,5-dimethylimidazol-1-yl)-2,2-dimethylhexan-1-amine
SMILESCc1ncn(CCCCC(C)(C)CN)c1C
InChIInChI=1S/C13H25N3/c1-11-12(2)16(10-15-11)8-6-5-7-13(3,4)9-14/h10H,5-9,14H2,1-4H3
InChIKeyQQSZTMZQIVTVMQ-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.66
Rot. Bonds6

About 6-(4,5-dimethylimidazol-1-yl)-2,2-dimethylhexan-1-amine

6-(4,5-dimethylimidazol-1-yl)-2,2-dimethylhexan-1-amine (PubChem CID 106708391) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 6-(4,5-dimethylimidazol-1-yl)-2,2-dimethylhexan-1-amine.

Molecular Properties

Compound Name6-(4,5-dimethylimidazol-1-yl)-2,2-dimethylhexan-1-amine
PubChem CID106708391
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name6-(4,5-dimethylimidazol-1-yl)-2,2-dimethylhexan-1-amine
SMILESCc1ncn(CCCCC(C)(C)CN)c1C
InChIInChI=1S/C13H25N3/c1-11-12(2)16(10-15-11)8-6-5-7-13(3,4)9-14/h10H,5-9,14H2,1-4H3
InChIKeyQQSZTMZQIVTVMQ-UHFFFAOYSA-N
XLogP2.66
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(aminomethyl)-6-(4,5-dimethylimidazol-1-yl)hexan-3-ol
CID 106811441
1-(4-chlorobutyl)-4,5-dimethylimidazole
CID 62349846
1-decyl-4,5-dimethylimidazole
CID 116621792
1-(5-chloropentyl)-4,5-dimethylimidazole
CID 62349844
1-butyl-4,5-dimethylimidazole
CID 18671206
2-(4,5-dimethylimidazol-1-yl)ethanamine;dihydrochloride
CID 75531085
1-(3-bromopropyl)-4,5-dimethylimidazole
CID 62352321
4-(4,5-dimethylimidazol-1-yl)butanenitrile
CID 62350743
4-(4,5-dimethylimidazol-1-yl)-N-ethylbutan-1-amine
CID 62442961
4-(4,5-dimethylimidazol-1-yl)butanehydrazide
CID 63577264
6-(4,5-dimethylimidazol-1-yl)-N-methylhexan-2-amine
CID 62350906
3-(4,5-dimethylimidazol-1-yl)-N-ethylpropan-1-amine
CID 62351281

Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dimethylimidazol-1-yl)-2,2-dimethylhexan-1-amine?
The IUPAC name of 6-(4,5-dimethylimidazol-1-yl)-2,2-dimethylhexan-1-amine (CID 106708391) is 6-(4,5-dimethylimidazol-1-yl)-2,2-dimethylhexan-1-amine.
What is the SMILES notation for 6-(4,5-dimethylimidazol-1-yl)-2,2-dimethylhexan-1-amine?
The canonical SMILES for 6-(4,5-dimethylimidazol-1-yl)-2,2-dimethylhexan-1-amine is Cc1ncn(CCCCC(C)(C)CN)c1C.
What is the InChIKey of 6-(4,5-dimethylimidazol-1-yl)-2,2-dimethylhexan-1-amine?
The InChIKey is QQSZTMZQIVTVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-11-12(2)16(10-15-11)8-6-5-7-13(3,4)9-14/h10H,5-9,14H2,1-4H3.
What are the key properties of 6-(4,5-dimethylimidazol-1-yl)-2,2-dimethylhexan-1-amine?
6-(4,5-dimethylimidazol-1-yl)-2,2-dimethylhexan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5-dimethylimidazol-1-yl)-2,2-dimethylhexan-1-amine is sourced from PubChem (CID 106708391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).