2-methyl-N-(2-pyrazol-1-ylethyl)pentan-3-amine

C11H21N3 — CID 61459650

IUPAC2-methyl-N-(2-pyrazol-1-ylethyl)pentan-3-amine
SMILESCCC(NCCn1cccn1)C(C)C
InChIInChI=1S/C11H21N3/c1-4-11(10(2)3)12-7-9-14-8-5-6-13-14/h5-6,8,10-12H,4,7,9H2,1-3H3
InChIKeyMYCMXPFFEDJBFF-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.91
Rot. Bonds6

About 2-methyl-N-(2-pyrazol-1-ylethyl)pentan-3-amine

2-methyl-N-(2-pyrazol-1-ylethyl)pentan-3-amine (PubChem CID 61459650) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-methyl-N-(2-pyrazol-1-ylethyl)pentan-3-amine.

Molecular Properties

Compound Name2-methyl-N-(2-pyrazol-1-ylethyl)pentan-3-amine
PubChem CID61459650
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2-methyl-N-(2-pyrazol-1-ylethyl)pentan-3-amine
SMILESCCC(NCCn1cccn1)C(C)C
InChIInChI=1S/C11H21N3/c1-4-11(10(2)3)12-7-9-14-8-5-6-13-14/h5-6,8,10-12H,4,7,9H2,1-3H3
InChIKeyMYCMXPFFEDJBFF-UHFFFAOYSA-N
XLogP1.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-iodo-3-methyl-N-(2-pyrazol-1-ylethyl)butan-2-amine
CID 107859401
4-methyl-3-(2-pyrazol-1-ylethylamino)pentan-1-ol
CID 104891912
4-methyl-N-(2-pyrazol-1-ylethyl)heptan-3-amine
CID 115888843
1-chloro-N-(2-pyrazol-1-ylethyl)propan-2-amine
CID 65025560
N-(2-pyrazol-1-ylethyl)heptan-4-amine
CID 61460010
2-methyl-3-(2-pyrazol-1-ylethylamino)butan-2-ol
CID 65337680
N'-hydroxy-2-(2-pyrazol-1-ylethylamino)propanimidamide
CID 77031329
(1R)-1-(2-methylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 81374023
1-imidazol-1-yl-N-(2-pyrazol-1-ylethyl)propan-2-amine
CID 61491585
3-(2-pyrazol-1-ylethylamino)butanamide
CID 115676497
1-(4-tert-butylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 61459928
1-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 61463069

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-pyrazol-1-ylethyl)pentan-3-amine?
The IUPAC name of 2-methyl-N-(2-pyrazol-1-ylethyl)pentan-3-amine (CID 61459650) is 2-methyl-N-(2-pyrazol-1-ylethyl)pentan-3-amine.
What is the SMILES notation for 2-methyl-N-(2-pyrazol-1-ylethyl)pentan-3-amine?
The canonical SMILES for 2-methyl-N-(2-pyrazol-1-ylethyl)pentan-3-amine is CCC(NCCn1cccn1)C(C)C.
What is the InChIKey of 2-methyl-N-(2-pyrazol-1-ylethyl)pentan-3-amine?
The InChIKey is MYCMXPFFEDJBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-11(10(2)3)12-7-9-14-8-5-6-13-14/h5-6,8,10-12H,4,7,9H2,1-3H3.
What are the key properties of 2-methyl-N-(2-pyrazol-1-ylethyl)pentan-3-amine?
2-methyl-N-(2-pyrazol-1-ylethyl)pentan-3-amine has a molecular weight of 195.31 g/mol, XLogP of 1.91, 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-pyrazol-1-ylethyl)pentan-3-amine is sourced from PubChem (CID 61459650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).