2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentan-3-amine

C12H23N3 — CID 104694997

IUPAC2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentan-3-amine
SMILESCCC(NCCc1ccnn1C)C(C)C
InChIInChI=1S/C12H23N3/c1-5-12(10(2)3)13-8-6-11-7-9-14-15(11)4/h7,9-10,12-13H,5-6,8H2,1-4H3
InChIKeyCUSWABOIKYCYIK-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.99
Rot. Bonds6

About 2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentan-3-amine

2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentan-3-amine (PubChem CID 104694997) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentan-3-amine
PubChem CID104694997
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentan-3-amine
SMILESCCC(NCCc1ccnn1C)C(C)C
InChIInChI=1S/C12H23N3/c1-5-12(10(2)3)13-8-6-11-7-9-14-15(11)4/h7,9-10,12-13H,5-6,8H2,1-4H3
InChIKeyCUSWABOIKYCYIK-UHFFFAOYSA-N
XLogP1.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methylpyrazol-3-yl)ethyl]pentan-2-amine
CID 104695080
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine
CID 113442203
N-[2-(2-methylpyrazol-3-yl)ethyl]heptan-3-amine
CID 104695096
1-cyclopropyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 104695065
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-methylsulfinylpropan-2-amine
CID 103002139
3-ethyl-5-(2-methylpyrazol-3-yl)-N-propylpentan-2-amine
CID 103004378
N-[2-(2-methylpyrazol-3-yl)ethyl]-4-phenylbutan-2-amine
CID 104693843
1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 64516316
N'-hydroxy-3-[2-(2-methylpyrazol-3-yl)ethylamino]pentanimidamide
CID 103007279
4-methyl-3-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]pentanoic acid
CID 103009670
(1R)-1-(2,5-dimethylfuran-3-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 100678259
4-[1-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]benzonitrile
CID 104693858

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentan-3-amine?
The IUPAC name of 2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentan-3-amine (CID 104694997) is 2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentan-3-amine.
What is the SMILES notation for 2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentan-3-amine?
The canonical SMILES for 2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentan-3-amine is CCC(NCCc1ccnn1C)C(C)C.
What is the InChIKey of 2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentan-3-amine?
The InChIKey is CUSWABOIKYCYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-12(10(2)3)13-8-6-11-7-9-14-15(11)4/h7,9-10,12-13H,5-6,8H2,1-4H3.
What are the key properties of 2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentan-3-amine?
2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentan-3-amine has a molecular weight of 209.34 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentan-3-amine is sourced from PubChem (CID 104694997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).