N-(2,2-diethyloxan-4-yl)-1-(1-methoxypropan-2-yl)imidazol-2-amine

C16H29N3O2 — CID 106578814

IUPACN-(2,2-diethyloxan-4-yl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
SMILESCCC1(CC)CC(Nc2nccn2C(C)COC)CCO1
InChIInChI=1S/C16H29N3O2/c1-5-16(6-2)11-14(7-10-21-16)18-15-17-8-9-19(15)13(3)12-20-4/h8-9,13-14H,5-7,10-12H2,1-4H3,(H,17,18)
InChIKeyFURCTZOGJAEJMF-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.24
Rot. Bonds7

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

N-(2,2-diethyloxan-4-yl)-1-(1-methoxypropan-2-yl)imidazol-2-amine (PubChem CID 106578814) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-(2,2-diethyloxan-4-yl)-1-(1-methoxypropan-2-yl)imidazol-2-amine.

Molecular Properties

Compound NameN-(2,2-diethyloxan-4-yl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
PubChem CID106578814
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-(2,2-diethyloxan-4-yl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
SMILESCCC1(CC)CC(Nc2nccn2C(C)COC)CCO1
InChIInChI=1S/C16H29N3O2/c1-5-16(6-2)11-14(7-10-21-16)18-15-17-8-9-19(15)13(3)12-20-4/h8-9,13-14H,5-7,10-12H2,1-4H3,(H,17,18)
InChIKeyFURCTZOGJAEJMF-UHFFFAOYSA-N
XLogP3.24
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyloxan-4-yl)-1-(1-methoxypropan-2-yl)imidazol-2-amine?
The IUPAC name of N-(2,2-diethyloxan-4-yl)-1-(1-methoxypropan-2-yl)imidazol-2-amine (CID 106578814) is N-(2,2-diethyloxan-4-yl)-1-(1-methoxypropan-2-yl)imidazol-2-amine.
What is the SMILES notation for N-(2,2-diethyloxan-4-yl)-1-(1-methoxypropan-2-yl)imidazol-2-amine?
The canonical SMILES for N-(2,2-diethyloxan-4-yl)-1-(1-methoxypropan-2-yl)imidazol-2-amine is CCC1(CC)CC(Nc2nccn2C(C)COC)CCO1.
What is the InChIKey of N-(2,2-diethyloxan-4-yl)-1-(1-methoxypropan-2-yl)imidazol-2-amine?
The InChIKey is FURCTZOGJAEJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-5-16(6-2)11-14(7-10-21-16)18-15-17-8-9-19(15)13(3)12-20-4/h8-9,13-14H,5-7,10-12H2,1-4H3,(H,17,18).
What are the key properties of N-(2,2-diethyloxan-4-yl)-1-(1-methoxypropan-2-yl)imidazol-2-amine?
N-(2,2-diethyloxan-4-yl)-1-(1-methoxypropan-2-yl)imidazol-2-amine has a molecular weight of 295.43 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyloxan-4-yl)-1-(1-methoxypropan-2-yl)imidazol-2-amine is sourced from PubChem (CID 106578814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).