N-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine

C11H19N3O2 — CID 106658816

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine
SMILESCC1(C)OCC(NCCc2cnc[nH]2)CO1
InChIInChI=1S/C11H19N3O2/c1-11(2)15-6-10(7-16-11)13-4-3-9-5-12-8-14-9/h5,8,10,13H,3-4,6-7H2,1-2H3,(H,12,14)
InChIKeyHLXLNGNJHMLTOQ-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.69
Rot. Bonds4

About N-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine

N-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine (PubChem CID 106658816) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine
PubChem CID106658816
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine
SMILESCC1(C)OCC(NCCc2cnc[nH]2)CO1
InChIInChI=1S/C11H19N3O2/c1-11(2)15-6-10(7-16-11)13-4-3-9-5-12-8-14-9/h5,8,10,13H,3-4,6-7H2,1-2H3,(H,12,14)
InChIKeyHLXLNGNJHMLTOQ-UHFFFAOYSA-N
XLogP0.69
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexan-1-amine
CID 65230583
N-[2-(1H-imidazol-5-yl)ethyl]-1,1-dioxothian-4-amine
CID 65231063
N-[2-(1H-imidazol-5-yl)ethyl]-2-propyloxan-4-amine
CID 65230541
N-[2-(1H-imidazol-5-yl)ethyl]-4,4-dimethylthian-3-amine
CID 79948121
N-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701215
N-[2-(1H-imidazol-5-yl)ethyl]adamantan-2-amine
CID 65232016
2-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexan-1-amine
CID 65232162
3-(3-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]cyclobutan-1-amine
CID 65232395
N-[2-(1H-imidazol-5-yl)ethyl]-1-pyridin-4-ylpiperidin-4-amine
CID 65231968
N-[2-(1H-imidazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 65232015
3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]propanoic acid
CID 106658180
1-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
CID 65232163

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine (CID 106658816) is N-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine is CC1(C)OCC(NCCc2cnc[nH]2)CO1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine?
The InChIKey is HLXLNGNJHMLTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-11(2)15-6-10(7-16-11)13-4-3-9-5-12-8-14-9/h5,8,10,13H,3-4,6-7H2,1-2H3,(H,12,14).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine?
N-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine has a molecular weight of 225.29 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine is sourced from PubChem (CID 106658816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).