[3-(2-methylbutan-2-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine

C13H23N3O — CID 114717319

IUPAC[3-(2-methylbutan-2-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine
SMILESCCC(C)(C)n1cncc1C(N)C1CCOC1
InChIInChI=1S/C13H23N3O/c1-4-13(2,3)16-9-15-7-11(16)12(14)10-5-6-17-8-10/h7,9-10,12H,4-6,8,14H2,1-3H3
InChIKeyZCPSKHDWQSPABS-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.06
Rot. Bonds4

About [3-(2-methylbutan-2-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine

[3-(2-methylbutan-2-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine (PubChem CID 114717319) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is [3-(2-methylbutan-2-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name[3-(2-methylbutan-2-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine
PubChem CID114717319
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name[3-(2-methylbutan-2-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine
SMILESCCC(C)(C)n1cncc1C(N)C1CCOC1
InChIInChI=1S/C13H23N3O/c1-4-13(2,3)16-9-15-7-11(16)12(14)10-5-6-17-8-10/h7,9-10,12H,4-6,8,14H2,1-3H3
InChIKeyZCPSKHDWQSPABS-UHFFFAOYSA-N
XLogP2.06
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2,2-dimethylheptyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114721340
[3-(cyclopropylmethyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717405
[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 102909124
2-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-N,N-diethylpropan-1-amine
CID 114719000
[3-[(4-ethylphenyl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 106901108
[3-(1,4-dioxan-2-ylmethyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114718342
(1R)-1-[3-[1-(oxolan-3-yl)ethyl]imidazol-4-yl]propan-1-amine
CID 104944059
(3-cyclopent-3-en-1-ylimidazol-4-yl)-(oxolan-3-yl)methanamine
CID 114722429
(1R)-1-[3-(2-methylbutan-2-yl)imidazol-4-yl]ethanamine
CID 104941998
[3-(4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717533
[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114719164
[3-(2-methylsulfanylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 107649077

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylbutan-2-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
The IUPAC name of [3-(2-methylbutan-2-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine (CID 114717319) is [3-(2-methylbutan-2-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine.
What is the SMILES notation for [3-(2-methylbutan-2-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
The canonical SMILES for [3-(2-methylbutan-2-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine is CCC(C)(C)n1cncc1C(N)C1CCOC1.
What is the InChIKey of [3-(2-methylbutan-2-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
The InChIKey is ZCPSKHDWQSPABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-13(2,3)16-9-15-7-11(16)12(14)10-5-6-17-8-10/h7,9-10,12H,4-6,8,14H2,1-3H3.
What are the key properties of [3-(2-methylbutan-2-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
[3-(2-methylbutan-2-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine has a molecular weight of 237.35 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylbutan-2-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine is sourced from PubChem (CID 114717319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).