N-(2,2-dimethyloxan-4-yl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine

C14H25N3O2 — CID 106578749

IUPACN-(2,2-dimethyloxan-4-yl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
SMILESCOCCn1cc(C)nc1NC1CCOC(C)(C)C1
InChIInChI=1S/C14H25N3O2/c1-11-10-17(6-8-18-4)13(15-11)16-12-5-7-19-14(2,3)9-12/h10,12H,5-9H2,1-4H3,(H,15,16)
InChIKeyMUALYSTXKIFZKU-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.21
Rot. Bonds5

About N-(2,2-dimethyloxan-4-yl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine

N-(2,2-dimethyloxan-4-yl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine (PubChem CID 106578749) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
PubChem CID106578749
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-(2,2-dimethyloxan-4-yl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
SMILESCOCCn1cc(C)nc1NC1CCOC(C)(C)C1
InChIInChI=1S/C14H25N3O2/c1-11-10-17(6-8-18-4)13(15-11)16-12-5-7-19-14(2,3)9-12/h10,12H,5-9H2,1-4H3,(H,15,16)
InChIKeyMUALYSTXKIFZKU-UHFFFAOYSA-N
XLogP2.21
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine (CID 106578749) is N-(2,2-dimethyloxan-4-yl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine is COCCn1cc(C)nc1NC1CCOC(C)(C)C1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine?
The InChIKey is MUALYSTXKIFZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-11-10-17(6-8-18-4)13(15-11)16-12-5-7-19-14(2,3)9-12/h10,12H,5-9H2,1-4H3,(H,15,16).
What are the key properties of N-(2,2-dimethyloxan-4-yl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine?
N-(2,2-dimethyloxan-4-yl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine has a molecular weight of 267.37 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106578749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).