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

C14H27N3 — CID 62565900

IUPAC3,3-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]butan-1-amine
SMILESCc1nn(CCNCCC(C)(C)C)c(C)c1C
InChIInChI=1S/C14H27N3/c1-11-12(2)16-17(13(11)3)10-9-15-8-7-14(4,5)6/h15H,7-10H2,1-6H3
InChIKeyNHGLGASEEYNTBJ-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.83
Rot. Bonds5

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

3,3-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]butan-1-amine (PubChem CID 62565900) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 3,3-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]butan-1-amine
PubChem CID62565900
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name3,3-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]butan-1-amine
SMILESCc1nn(CCNCCC(C)(C)C)c(C)c1C
InChIInChI=1S/C14H27N3/c1-11-12(2)16-17(13(11)3)10-9-15-8-7-14(4,5)6/h15H,7-10H2,1-6H3
InChIKeyNHGLGASEEYNTBJ-UHFFFAOYSA-N
XLogP2.83
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]butan-1-amine?
The IUPAC name of 3,3-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]butan-1-amine (CID 62565900) is 3,3-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]butan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]butan-1-amine is Cc1nn(CCNCCC(C)(C)C)c(C)c1C.
What is the InChIKey of 3,3-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]butan-1-amine?
The InChIKey is NHGLGASEEYNTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-11-12(2)16-17(13(11)3)10-9-15-8-7-14(4,5)6/h15H,7-10H2,1-6H3.
What are the key properties of 3,3-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]butan-1-amine?
3,3-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]butan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]butan-1-amine is sourced from PubChem (CID 62565900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).