2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine

C13H25N3 — CID 62692855

IUPAC2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine
SMILESCCC(C)CNC(C)c1c(C)nn(C)c1C
InChIInChI=1S/C13H25N3/c1-7-9(2)8-14-10(3)13-11(4)15-16(6)12(13)5/h9-10,14H,7-8H2,1-6H3
InChIKeySILMVJBLFAKPTP-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.73
Rot. Bonds5

About 2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine

2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine (PubChem CID 62692855) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine
PubChem CID62692855
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine
SMILESCCC(C)CNC(C)c1c(C)nn(C)c1C
InChIInChI=1S/C13H25N3/c1-7-9(2)8-14-10(3)13-11(4)15-16(6)12(13)5/h9-10,14H,7-8H2,1-6H3
InChIKeySILMVJBLFAKPTP-UHFFFAOYSA-N
XLogP2.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine?
The IUPAC name of 2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine (CID 62692855) is 2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine.
What is the SMILES notation for 2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine?
The canonical SMILES for 2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine is CCC(C)CNC(C)c1c(C)nn(C)c1C.
What is the InChIKey of 2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine?
The InChIKey is SILMVJBLFAKPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-7-9(2)8-14-10(3)13-11(4)15-16(6)12(13)5/h9-10,14H,7-8H2,1-6H3.
What are the key properties of 2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine?
2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine is sourced from PubChem (CID 62692855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).