N-(2-imidazol-1-ylethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine

C14H23N3O2 — CID 79120650

IUPACN-(2-imidazol-1-ylethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCN(CCn1ccnc1)C1CCC2(CC1)OCCO2
InChIInChI=1S/C14H23N3O2/c1-16(8-9-17-7-6-15-12-17)13-2-4-14(5-3-13)18-10-11-19-14/h6-7,12-13H,2-5,8-11H2,1H3
InChIKeyBWCZJONYQXWATN-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.50
Rot. Bonds4

About N-(2-imidazol-1-ylethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine

N-(2-imidazol-1-ylethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 79120650) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID79120650
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(2-imidazol-1-ylethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCN(CCn1ccnc1)C1CCC2(CC1)OCCO2
InChIInChI=1S/C14H23N3O2/c1-16(8-9-17-7-6-15-12-17)13-2-4-14(5-3-13)18-10-11-19-14/h6-7,12-13H,2-5,8-11H2,1H3
InChIKeyBWCZJONYQXWATN-UHFFFAOYSA-N
XLogP1.50
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-(2-imidazol-1-ylethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 79120650) is N-(2-imidazol-1-ylethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine is CN(CCn1ccnc1)C1CCC2(CC1)OCCO2.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is BWCZJONYQXWATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-16(8-9-17-7-6-15-12-17)13-2-4-14(5-3-13)18-10-11-19-14/h6-7,12-13H,2-5,8-11H2,1H3.
What are the key properties of N-(2-imidazol-1-ylethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
N-(2-imidazol-1-ylethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 265.36 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 79120650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).