1-(2,2-diethyloxan-4-yl)-N,4-dimethylimidazol-2-amine

C14H25N3O — CID 106578808

IUPAC1-(2,2-diethyloxan-4-yl)-N,4-dimethylimidazol-2-amine
SMILESCCC1(CC)CC(n2cc(C)nc2NC)CCO1
InChIInChI=1S/C14H25N3O/c1-5-14(6-2)9-12(7-8-18-14)17-10-11(3)16-13(17)15-4/h10,12H,5-9H2,1-4H3,(H,15,16)
InChIKeyBTVNWZLQYKZEBL-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.14
Rot. Bonds4

About 1-(2,2-diethyloxan-4-yl)-N,4-dimethylimidazol-2-amine

1-(2,2-diethyloxan-4-yl)-N,4-dimethylimidazol-2-amine (PubChem CID 106578808) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(2,2-diethyloxan-4-yl)-N,4-dimethylimidazol-2-amine.

Molecular Properties

Compound Name1-(2,2-diethyloxan-4-yl)-N,4-dimethylimidazol-2-amine
PubChem CID106578808
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-(2,2-diethyloxan-4-yl)-N,4-dimethylimidazol-2-amine
SMILESCCC1(CC)CC(n2cc(C)nc2NC)CCO1
InChIInChI=1S/C14H25N3O/c1-5-14(6-2)9-12(7-8-18-14)17-10-11(3)16-13(17)15-4/h10,12H,5-9H2,1-4H3,(H,15,16)
InChIKeyBTVNWZLQYKZEBL-UHFFFAOYSA-N
XLogP3.14
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethyloxan-4-yl)-N,4-dimethylimidazol-2-amine?
The IUPAC name of 1-(2,2-diethyloxan-4-yl)-N,4-dimethylimidazol-2-amine (CID 106578808) is 1-(2,2-diethyloxan-4-yl)-N,4-dimethylimidazol-2-amine.
What is the SMILES notation for 1-(2,2-diethyloxan-4-yl)-N,4-dimethylimidazol-2-amine?
The canonical SMILES for 1-(2,2-diethyloxan-4-yl)-N,4-dimethylimidazol-2-amine is CCC1(CC)CC(n2cc(C)nc2NC)CCO1.
What is the InChIKey of 1-(2,2-diethyloxan-4-yl)-N,4-dimethylimidazol-2-amine?
The InChIKey is BTVNWZLQYKZEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-14(6-2)9-12(7-8-18-14)17-10-11(3)16-13(17)15-4/h10,12H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 1-(2,2-diethyloxan-4-yl)-N,4-dimethylimidazol-2-amine?
1-(2,2-diethyloxan-4-yl)-N,4-dimethylimidazol-2-amine has a molecular weight of 251.37 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethyloxan-4-yl)-N,4-dimethylimidazol-2-amine is sourced from PubChem (CID 106578808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).