1-(3,3-dimethylbutan-2-yl)imidazol-2-amine

C9H17N3 — CID 106580832

IUPAC1-(3,3-dimethylbutan-2-yl)imidazol-2-amine
SMILESCC(n1ccnc1N)C(C)(C)C
InChIInChI=1S/C9H17N3/c1-7(9(2,3)4)12-6-5-11-8(12)10/h5-7H,1-4H3,(H2,10,11)
InChIKeyXDQRNMSHCOCLKK-UHFFFAOYSA-N
MW167.26 g/mol
LogP2.07
Rot. Bonds1

About 1-(3,3-dimethylbutan-2-yl)imidazol-2-amine

1-(3,3-dimethylbutan-2-yl)imidazol-2-amine (PubChem CID 106580832) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1-(3,3-dimethylbutan-2-yl)imidazol-2-amine.

Molecular Properties

Compound Name1-(3,3-dimethylbutan-2-yl)imidazol-2-amine
PubChem CID106580832
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1-(3,3-dimethylbutan-2-yl)imidazol-2-amine
SMILESCC(n1ccnc1N)C(C)(C)C
InChIInChI=1S/C9H17N3/c1-7(9(2,3)4)12-6-5-11-8(12)10/h5-7H,1-4H3,(H2,10,11)
InChIKeyXDQRNMSHCOCLKK-UHFFFAOYSA-N
XLogP2.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutan-2-yl)imidazol-2-amine?
The IUPAC name of 1-(3,3-dimethylbutan-2-yl)imidazol-2-amine (CID 106580832) is 1-(3,3-dimethylbutan-2-yl)imidazol-2-amine.
What is the SMILES notation for 1-(3,3-dimethylbutan-2-yl)imidazol-2-amine?
The canonical SMILES for 1-(3,3-dimethylbutan-2-yl)imidazol-2-amine is CC(n1ccnc1N)C(C)(C)C.
What is the InChIKey of 1-(3,3-dimethylbutan-2-yl)imidazol-2-amine?
The InChIKey is XDQRNMSHCOCLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-7(9(2,3)4)12-6-5-11-8(12)10/h5-7H,1-4H3,(H2,10,11).
What are the key properties of 1-(3,3-dimethylbutan-2-yl)imidazol-2-amine?
1-(3,3-dimethylbutan-2-yl)imidazol-2-amine has a molecular weight of 167.26 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutan-2-yl)imidazol-2-amine is sourced from PubChem (CID 106580832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).