N-(2,2-dimethyloxan-4-yl)-1H-imidazol-2-amine

C10H17N3O — CID 106578747

IUPACN-(2,2-dimethyloxan-4-yl)-1H-imidazol-2-amine
SMILESCC1(C)CC(Nc2ncc[nH]2)CCO1
InChIInChI=1S/C10H17N3O/c1-10(2)7-8(3-6-14-10)13-9-11-4-5-12-9/h4-5,8H,3,6-7H2,1-2H3,(H2,11,12,13)
InChIKeyULXDKBMVOCSQPW-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.78
Rot. Bonds2

About N-(2,2-dimethyloxan-4-yl)-1H-imidazol-2-amine

N-(2,2-dimethyloxan-4-yl)-1H-imidazol-2-amine (PubChem CID 106578747) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-1H-imidazol-2-amine
PubChem CID106578747
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-(2,2-dimethyloxan-4-yl)-1H-imidazol-2-amine
SMILESCC1(C)CC(Nc2ncc[nH]2)CCO1
InChIInChI=1S/C10H17N3O/c1-10(2)7-8(3-6-14-10)13-9-11-4-5-12-9/h4-5,8H,3,6-7H2,1-2H3,(H2,11,12,13)
InChIKeyULXDKBMVOCSQPW-UHFFFAOYSA-N
XLogP1.78
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-1H-imidazol-2-amine?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-1H-imidazol-2-amine (CID 106578747) is N-(2,2-dimethyloxan-4-yl)-1H-imidazol-2-amine.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-1H-imidazol-2-amine?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-1H-imidazol-2-amine is CC1(C)CC(Nc2ncc[nH]2)CCO1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-1H-imidazol-2-amine?
The InChIKey is ULXDKBMVOCSQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-10(2)7-8(3-6-14-10)13-9-11-4-5-12-9/h4-5,8H,3,6-7H2,1-2H3,(H2,11,12,13).
What are the key properties of N-(2,2-dimethyloxan-4-yl)-1H-imidazol-2-amine?
N-(2,2-dimethyloxan-4-yl)-1H-imidazol-2-amine has a molecular weight of 195.27 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-1H-imidazol-2-amine is sourced from PubChem (CID 106578747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).