2,2-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine

C12H23N3 — CID 106758170

IUPAC2,2-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
SMILESCCC(C)(C)CNC(C)c1ccnn1C
InChIInChI=1S/C12H23N3/c1-6-12(3,4)9-13-10(2)11-7-8-14-15(11)5/h7-8,10,13H,6,9H2,1-5H3
InChIKeyFLKOVQJTJALNMI-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.51
Rot. Bonds5

About 2,2-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine

2,2-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine (PubChem CID 106758170) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
PubChem CID106758170
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2,2-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
SMILESCCC(C)(C)CNC(C)c1ccnn1C
InChIInChI=1S/C12H23N3/c1-6-12(3,4)9-13-10(2)11-7-8-14-15(11)5/h7-8,10,13H,6,9H2,1-5H3
InChIKeyFLKOVQJTJALNMI-UHFFFAOYSA-N
XLogP2.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol
CID 106757861
N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
CID 66657947
2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-2-morpholin-4-ylpropan-1-amine
CID 106756920
2-ethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106758131
3,3,3-trifluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 106757793
2,2-difluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757996
N-benzyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 106756794
2-ethyl-2-[1-(2-methylpyrazol-3-yl)ethylamino]propane-1,3-diol
CID 107093949
4,4,4-trifluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106757998
2,2-dimethyl-N-(1-pyridin-4-ylethyl)butan-1-amine
CID 103460442
2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]prop-2-en-1-amine
CID 106758152
[2,2-dimethyl-1-(2-methylpyrazol-3-yl)butyl]hydrazine
CID 105307536

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine (CID 106758170) is 2,2-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine is CCC(C)(C)CNC(C)c1ccnn1C.
What is the InChIKey of 2,2-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine?
The InChIKey is FLKOVQJTJALNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-6-12(3,4)9-13-10(2)11-7-8-14-15(11)5/h7-8,10,13H,6,9H2,1-5H3.
What are the key properties of 2,2-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine?
2,2-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine is sourced from PubChem (CID 106758170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).