5-(3-methylpentan-3-yl)-1H-imidazol-2-amine

C9H17N3 — CID 19911883

IUPAC5-(3-methylpentan-3-yl)-1H-imidazol-2-amine
SMILESCCC(C)(CC)c1cnc(N)[nH]1
InChIInChI=1S/C9H17N3/c1-4-9(3,5-2)7-6-11-8(10)12-7/h6H,4-5H2,1-3H3,(H3,10,11,12)
InChIKeyAJOCGUXOSYYRBP-UHFFFAOYSA-N
MW167.26 g/mol
LogP2.07
Rot. Bonds3

About 5-(3-methylpentan-3-yl)-1H-imidazol-2-amine

5-(3-methylpentan-3-yl)-1H-imidazol-2-amine (PubChem CID 19911883) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 5-(3-methylpentan-3-yl)-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-(3-methylpentan-3-yl)-1H-imidazol-2-amine
PubChem CID19911883
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name5-(3-methylpentan-3-yl)-1H-imidazol-2-amine
SMILESCCC(C)(CC)c1cnc(N)[nH]1
InChIInChI=1S/C9H17N3/c1-4-9(3,5-2)7-6-11-8(10)12-7/h6H,4-5H2,1-3H3,(H3,10,11,12)
InChIKeyAJOCGUXOSYYRBP-UHFFFAOYSA-N
XLogP2.07
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylbutan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole
CID 140580734
2-ethynyl-5-(3-methylnonan-3-yl)-1H-imidazole
CID 126513989
5-methylsulfanyl-1H-imidazol-2-amine
CID 10654246
2-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-ethylbutanoic acid
CID 42609112
5-heptadecyl-1H-imidazol-2-amine
CID 25178085
2-(2-bromo-1H-imidazol-5-yl)propan-2-amine
CID 115023235
5-phenyl-1H-imidazol-2-amine;propane
CID 143872640
(5-tert-butyl-1H-imidazol-2-yl)methanamine
CID 43649269
ethane;5-propan-2-yl-1H-imidazol-2-amine
CID 163265952
1-[1-(2-amino-1H-imidazol-5-yl)-1-(methylamino)ethyl]-3-cyano-2-methylguanidine
CID 88788346
(2-amino-1H-imidazol-5-yl)methanol;hydrochloride
CID 20550067
5-(2-methylbutan-2-yl)pyrimidin-2-amine
CID 123717080

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylpentan-3-yl)-1H-imidazol-2-amine?
The IUPAC name of 5-(3-methylpentan-3-yl)-1H-imidazol-2-amine (CID 19911883) is 5-(3-methylpentan-3-yl)-1H-imidazol-2-amine.
What is the SMILES notation for 5-(3-methylpentan-3-yl)-1H-imidazol-2-amine?
The canonical SMILES for 5-(3-methylpentan-3-yl)-1H-imidazol-2-amine is CCC(C)(CC)c1cnc(N)[nH]1.
What is the InChIKey of 5-(3-methylpentan-3-yl)-1H-imidazol-2-amine?
The InChIKey is AJOCGUXOSYYRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-4-9(3,5-2)7-6-11-8(10)12-7/h6H,4-5H2,1-3H3,(H3,10,11,12).
What are the key properties of 5-(3-methylpentan-3-yl)-1H-imidazol-2-amine?
5-(3-methylpentan-3-yl)-1H-imidazol-2-amine has a molecular weight of 167.26 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylpentan-3-yl)-1H-imidazol-2-amine is sourced from PubChem (CID 19911883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).