3-methyl-N-propyl-2-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine

C14H27N3 — CID 62442929

IUPAC3-methyl-N-propyl-2-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine
SMILESCCCNCC(C(C)C)n1nc(C)c(C)c1C
InChIInChI=1S/C14H27N3/c1-7-8-15-9-14(10(2)3)17-13(6)11(4)12(5)16-17/h10,14-15H,7-9H2,1-6H3
InChIKeyVTSNZWBGJZXTCR-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.01
Rot. Bonds6

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

3-methyl-N-propyl-2-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine (PubChem CID 62442929) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-methyl-N-propyl-2-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-propyl-2-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine
PubChem CID62442929
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name3-methyl-N-propyl-2-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine
SMILESCCCNCC(C(C)C)n1nc(C)c(C)c1C
InChIInChI=1S/C14H27N3/c1-7-8-15-9-14(10(2)3)17-13(6)11(4)12(5)16-17/h10,14-15H,7-9H2,1-6H3
InChIKeyVTSNZWBGJZXTCR-UHFFFAOYSA-N
XLogP3.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.01
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-methyl-N-propyl-2-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine?
The IUPAC name of 3-methyl-N-propyl-2-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine (CID 62442929) is 3-methyl-N-propyl-2-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine.
What is the SMILES notation for 3-methyl-N-propyl-2-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine?
The canonical SMILES for 3-methyl-N-propyl-2-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine is CCCNCC(C(C)C)n1nc(C)c(C)c1C.
What is the InChIKey of 3-methyl-N-propyl-2-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine?
The InChIKey is VTSNZWBGJZXTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-7-8-15-9-14(10(2)3)17-13(6)11(4)12(5)16-17/h10,14-15H,7-9H2,1-6H3.
What are the key properties of 3-methyl-N-propyl-2-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine?
3-methyl-N-propyl-2-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyl-2-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine is sourced from PubChem (CID 62442929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).