N-ethyl-3-methyl-2-(4-methylpyrazol-1-yl)butan-1-amine

C11H21N3 — CID 62447059

IUPACN-ethyl-3-methyl-2-(4-methylpyrazol-1-yl)butan-1-amine
SMILESCCNCC(C(C)C)n1cc(C)cn1
InChIInChI=1S/C11H21N3/c1-5-12-7-11(9(2)3)14-8-10(4)6-13-14/h6,8-9,11-12H,5,7H2,1-4H3
InChIKeyBXMIUJSAXZBVTG-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.00
Rot. Bonds5

About N-ethyl-3-methyl-2-(4-methylpyrazol-1-yl)butan-1-amine

N-ethyl-3-methyl-2-(4-methylpyrazol-1-yl)butan-1-amine (PubChem CID 62447059) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-ethyl-3-methyl-2-(4-methylpyrazol-1-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-2-(4-methylpyrazol-1-yl)butan-1-amine
PubChem CID62447059
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-ethyl-3-methyl-2-(4-methylpyrazol-1-yl)butan-1-amine
SMILESCCNCC(C(C)C)n1cc(C)cn1
InChIInChI=1S/C11H21N3/c1-5-12-7-11(9(2)3)14-8-10(4)6-13-14/h6,8-9,11-12H,5,7H2,1-4H3
InChIKeyBXMIUJSAXZBVTG-UHFFFAOYSA-N
XLogP2.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-2-(4-methylpyrazol-1-yl)butan-1-amine?
The IUPAC name of N-ethyl-3-methyl-2-(4-methylpyrazol-1-yl)butan-1-amine (CID 62447059) is N-ethyl-3-methyl-2-(4-methylpyrazol-1-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-2-(4-methylpyrazol-1-yl)butan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-2-(4-methylpyrazol-1-yl)butan-1-amine is CCNCC(C(C)C)n1cc(C)cn1.
What is the InChIKey of N-ethyl-3-methyl-2-(4-methylpyrazol-1-yl)butan-1-amine?
The InChIKey is BXMIUJSAXZBVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-5-12-7-11(9(2)3)14-8-10(4)6-13-14/h6,8-9,11-12H,5,7H2,1-4H3.
What are the key properties of N-ethyl-3-methyl-2-(4-methylpyrazol-1-yl)butan-1-amine?
N-ethyl-3-methyl-2-(4-methylpyrazol-1-yl)butan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-2-(4-methylpyrazol-1-yl)butan-1-amine is sourced from PubChem (CID 62447059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).