N-(2,2-diethyloxan-4-yl)-4-methyl-1-propan-2-ylimidazol-2-amine

C16H29N3O — CID 106578832

IUPACN-(2,2-diethyloxan-4-yl)-4-methyl-1-propan-2-ylimidazol-2-amine
SMILESCCC1(CC)CC(Nc2nc(C)cn2C(C)C)CCO1
InChIInChI=1S/C16H29N3O/c1-6-16(7-2)10-14(8-9-20-16)18-15-17-13(5)11-19(15)12(3)4/h11-12,14H,6-10H2,1-5H3,(H,17,18)
InChIKeyGBAXFGKKWOAJTB-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.92
Rot. Bonds5

About N-(2,2-diethyloxan-4-yl)-4-methyl-1-propan-2-ylimidazol-2-amine

N-(2,2-diethyloxan-4-yl)-4-methyl-1-propan-2-ylimidazol-2-amine (PubChem CID 106578832) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-(2,2-diethyloxan-4-yl)-4-methyl-1-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound NameN-(2,2-diethyloxan-4-yl)-4-methyl-1-propan-2-ylimidazol-2-amine
PubChem CID106578832
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-(2,2-diethyloxan-4-yl)-4-methyl-1-propan-2-ylimidazol-2-amine
SMILESCCC1(CC)CC(Nc2nc(C)cn2C(C)C)CCO1
InChIInChI=1S/C16H29N3O/c1-6-16(7-2)10-14(8-9-20-16)18-15-17-13(5)11-19(15)12(3)4/h11-12,14H,6-10H2,1-5H3,(H,17,18)
InChIKeyGBAXFGKKWOAJTB-UHFFFAOYSA-N
XLogP3.92
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyloxan-4-yl)-4-methyl-1-propan-2-ylimidazol-2-amine?
The IUPAC name of N-(2,2-diethyloxan-4-yl)-4-methyl-1-propan-2-ylimidazol-2-amine (CID 106578832) is N-(2,2-diethyloxan-4-yl)-4-methyl-1-propan-2-ylimidazol-2-amine.
What is the SMILES notation for N-(2,2-diethyloxan-4-yl)-4-methyl-1-propan-2-ylimidazol-2-amine?
The canonical SMILES for N-(2,2-diethyloxan-4-yl)-4-methyl-1-propan-2-ylimidazol-2-amine is CCC1(CC)CC(Nc2nc(C)cn2C(C)C)CCO1.
What is the InChIKey of N-(2,2-diethyloxan-4-yl)-4-methyl-1-propan-2-ylimidazol-2-amine?
The InChIKey is GBAXFGKKWOAJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-6-16(7-2)10-14(8-9-20-16)18-15-17-13(5)11-19(15)12(3)4/h11-12,14H,6-10H2,1-5H3,(H,17,18).
What are the key properties of N-(2,2-diethyloxan-4-yl)-4-methyl-1-propan-2-ylimidazol-2-amine?
N-(2,2-diethyloxan-4-yl)-4-methyl-1-propan-2-ylimidazol-2-amine has a molecular weight of 279.43 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyloxan-4-yl)-4-methyl-1-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106578832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).