N-(2-propan-2-ylcyclobutyl)-1H-imidazol-5-amine

C10H17N3 — CID 130668774

IUPACN-(2-propan-2-ylcyclobutyl)-1H-imidazol-5-amine
SMILESCC(C)C1CCC1Nc1cnc[nH]1
InChIInChI=1S/C10H17N3/c1-7(2)8-3-4-9(8)13-10-5-11-6-12-10/h5-9,13H,3-4H2,1-2H3,(H,11,12)
InChIKeyQQOQSLYFWMQNOC-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.26
Rot. Bonds3

About N-(2-propan-2-ylcyclobutyl)-1H-imidazol-5-amine

N-(2-propan-2-ylcyclobutyl)-1H-imidazol-5-amine (PubChem CID 130668774) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N-(2-propan-2-ylcyclobutyl)-1H-imidazol-5-amine.

Molecular Properties

Compound NameN-(2-propan-2-ylcyclobutyl)-1H-imidazol-5-amine
PubChem CID130668774
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN-(2-propan-2-ylcyclobutyl)-1H-imidazol-5-amine
SMILESCC(C)C1CCC1Nc1cnc[nH]1
InChIInChI=1S/C10H17N3/c1-7(2)8-3-4-9(8)13-10-5-11-6-12-10/h5-9,13H,3-4H2,1-2H3,(H,11,12)
InChIKeyQQOQSLYFWMQNOC-UHFFFAOYSA-N
XLogP2.26
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylcyclobutyl)-1H-imidazol-5-amine?
The IUPAC name of N-(2-propan-2-ylcyclobutyl)-1H-imidazol-5-amine (CID 130668774) is N-(2-propan-2-ylcyclobutyl)-1H-imidazol-5-amine.
What is the SMILES notation for N-(2-propan-2-ylcyclobutyl)-1H-imidazol-5-amine?
The canonical SMILES for N-(2-propan-2-ylcyclobutyl)-1H-imidazol-5-amine is CC(C)C1CCC1Nc1cnc[nH]1.
What is the InChIKey of N-(2-propan-2-ylcyclobutyl)-1H-imidazol-5-amine?
The InChIKey is QQOQSLYFWMQNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-7(2)8-3-4-9(8)13-10-5-11-6-12-10/h5-9,13H,3-4H2,1-2H3,(H,11,12).
What are the key properties of N-(2-propan-2-ylcyclobutyl)-1H-imidazol-5-amine?
N-(2-propan-2-ylcyclobutyl)-1H-imidazol-5-amine has a molecular weight of 179.27 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylcyclobutyl)-1H-imidazol-5-amine is sourced from PubChem (CID 130668774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).