N-(1,4-dioxan-2-ylmethyl)-1-(2-methylpyrazol-3-yl)ethanamine

C11H19N3O2 — CID 106757647

IUPACN-(1,4-dioxan-2-ylmethyl)-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCC(NCC1COCCO1)c1ccnn1C
InChIInChI=1S/C11H19N3O2/c1-9(11-3-4-13-14(11)2)12-7-10-8-15-5-6-16-10/h3-4,9-10,12H,5-8H2,1-2H3
InChIKeyVZEOJESPBWQAPW-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.49
Rot. Bonds4

About N-(1,4-dioxan-2-ylmethyl)-1-(2-methylpyrazol-3-yl)ethanamine

N-(1,4-dioxan-2-ylmethyl)-1-(2-methylpyrazol-3-yl)ethanamine (PubChem CID 106757647) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-1-(2-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-1-(2-methylpyrazol-3-yl)ethanamine
PubChem CID106757647
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCC(NCC1COCCO1)c1ccnn1C
InChIInChI=1S/C11H19N3O2/c1-9(11-3-4-13-14(11)2)12-7-10-8-15-5-6-16-10/h3-4,9-10,12H,5-8H2,1-2H3
InChIKeyVZEOJESPBWQAPW-UHFFFAOYSA-N
XLogP0.49
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 107386044
N-(cyclohexylmethyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 106757054
1-(1,3-dimethylpyrazol-4-yl)-N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 65197124
1-(3,4-dichlorophenyl)-N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 54907448
N-(1,4-dioxan-2-ylmethyl)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 61024592
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 106756981
N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
CID 66657947
1-(1,4-dioxan-2-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 65352324
1-(3,4-difluorophenyl)-N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 54907301
N-[1-(2-methylpyrazol-3-yl)ethyl]oxan-3-amine
CID 106757805
N-[(1-ethylcyclopentyl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 107093788
1-(3-chlorophenyl)-N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 54907396

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-1-(2-methylpyrazol-3-yl)ethanamine?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-1-(2-methylpyrazol-3-yl)ethanamine (CID 106757647) is N-(1,4-dioxan-2-ylmethyl)-1-(2-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-1-(2-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-1-(2-methylpyrazol-3-yl)ethanamine is CC(NCC1COCCO1)c1ccnn1C.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-1-(2-methylpyrazol-3-yl)ethanamine?
The InChIKey is VZEOJESPBWQAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-9(11-3-4-13-14(11)2)12-7-10-8-15-5-6-16-10/h3-4,9-10,12H,5-8H2,1-2H3.
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-1-(2-methylpyrazol-3-yl)ethanamine?
N-(1,4-dioxan-2-ylmethyl)-1-(2-methylpyrazol-3-yl)ethanamine has a molecular weight of 225.29 g/mol, XLogP of 0.49, 4 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-(2-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 106757647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).