N-(1,4-dioxan-2-ylmethyl)-1,4-dimethylimidazol-2-amine

C10H17N3O2 — CID 106563560

IUPACN-(1,4-dioxan-2-ylmethyl)-1,4-dimethylimidazol-2-amine
SMILESCc1cn(C)c(NCC2COCCO2)n1
InChIInChI=1S/C10H17N3O2/c1-8-6-13(2)10(12-8)11-5-9-7-14-3-4-15-9/h6,9H,3-5,7H2,1-2H3,(H,11,12)
InChIKeyNBKWADAGMAVQQA-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.56
Rot. Bonds3

About N-(1,4-dioxan-2-ylmethyl)-1,4-dimethylimidazol-2-amine

N-(1,4-dioxan-2-ylmethyl)-1,4-dimethylimidazol-2-amine (PubChem CID 106563560) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-1,4-dimethylimidazol-2-amine.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-1,4-dimethylimidazol-2-amine
PubChem CID106563560
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-1,4-dimethylimidazol-2-amine
SMILESCc1cn(C)c(NCC2COCCO2)n1
InChIInChI=1S/C10H17N3O2/c1-8-6-13(2)10(12-8)11-5-9-7-14-3-4-15-9/h6,9H,3-5,7H2,1-2H3,(H,11,12)
InChIKeyNBKWADAGMAVQQA-UHFFFAOYSA-N
XLogP0.56
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-1,4-dimethylimidazol-2-amine?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-1,4-dimethylimidazol-2-amine (CID 106563560) is N-(1,4-dioxan-2-ylmethyl)-1,4-dimethylimidazol-2-amine.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-1,4-dimethylimidazol-2-amine?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-1,4-dimethylimidazol-2-amine is Cc1cn(C)c(NCC2COCCO2)n1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-1,4-dimethylimidazol-2-amine?
The InChIKey is NBKWADAGMAVQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8-6-13(2)10(12-8)11-5-9-7-14-3-4-15-9/h6,9H,3-5,7H2,1-2H3,(H,11,12).
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-1,4-dimethylimidazol-2-amine?
N-(1,4-dioxan-2-ylmethyl)-1,4-dimethylimidazol-2-amine has a molecular weight of 211.26 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-1,4-dimethylimidazol-2-amine is sourced from PubChem (CID 106563560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).