N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine

C12H21N3O2 — CID 107386044

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCC(NCC1COC(C)(C)O1)c1ccnn1C
InChIInChI=1S/C12H21N3O2/c1-9(11-5-6-14-15(11)4)13-7-10-8-16-12(2,3)17-10/h5-6,9-10,13H,7-8H2,1-4H3
InChIKeyHRULEYRGZLQYLP-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.22
Rot. Bonds4

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine (PubChem CID 107386044) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine
PubChem CID107386044
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCC(NCC1COC(C)(C)O1)c1ccnn1C
InChIInChI=1S/C12H21N3O2/c1-9(11-5-6-14-15(11)4)13-7-10-8-16-12(2,3)17-10/h5-6,9-10,13H,7-8H2,1-4H3
InChIKeyHRULEYRGZLQYLP-UHFFFAOYSA-N
XLogP1.22
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.22
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-(1-methylpyrazol-4-yl)ethanamine
CID 107386127
N-(1,4-dioxan-2-ylmethyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 106757647
N-(cyclohexylmethyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 106757054
[1-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]cyclopropyl]methanol
CID 106757997
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine
CID 107386010
N-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 106758148
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 107093870
4-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]ethyl]-3-fluorophenol
CID 107715527
2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]prop-2-en-1-amine
CID 106758152
[1-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]cyclohexyl]methanol
CID 106758044
2,2-difluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757996
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 107386572

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine (CID 107386044) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine is CC(NCC1COC(C)(C)O1)c1ccnn1C.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine?
The InChIKey is HRULEYRGZLQYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(11-5-6-14-15(11)4)13-7-10-8-16-12(2,3)17-10/h5-6,9-10,13H,7-8H2,1-4H3.
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine has a molecular weight of 239.32 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 107386044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).