6-(1-butan-2-ylpyrazol-3-yl)-2-methylhexan-3-amine

C14H27N3 — CID 64778152

IUPAC6-(1-butan-2-ylpyrazol-3-yl)-2-methylhexan-3-amine
SMILESCCC(C)n1ccc(CCCC(N)C(C)C)n1
InChIInChI=1S/C14H27N3/c1-5-12(4)17-10-9-13(16-17)7-6-8-14(15)11(2)3/h9-12,14H,5-8,15H2,1-4H3
InChIKeyFSIKCLNUYADKHI-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.16
Rot. Bonds7

About 6-(1-butan-2-ylpyrazol-3-yl)-2-methylhexan-3-amine

6-(1-butan-2-ylpyrazol-3-yl)-2-methylhexan-3-amine (PubChem CID 64778152) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 6-(1-butan-2-ylpyrazol-3-yl)-2-methylhexan-3-amine.

Molecular Properties

Compound Name6-(1-butan-2-ylpyrazol-3-yl)-2-methylhexan-3-amine
PubChem CID64778152
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name6-(1-butan-2-ylpyrazol-3-yl)-2-methylhexan-3-amine
SMILESCCC(C)n1ccc(CCCC(N)C(C)C)n1
InChIInChI=1S/C14H27N3/c1-5-12(4)17-10-9-13(16-17)7-6-8-14(15)11(2)3/h9-12,14H,5-8,15H2,1-4H3
InChIKeyFSIKCLNUYADKHI-UHFFFAOYSA-N
XLogP3.16
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromo-5-methylhexyl)-1-butan-2-ylpyrazole
CID 64778955
3-(4-bromohexyl)-1-butan-2-ylpyrazole
CID 64779134
3-(3-bromobutyl)-1-butan-2-ylpyrazole
CID 64779633
3-(4-bromo-3-methylbutyl)-1-butan-2-ylpyrazole
CID 64778961
1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-3-amine
CID 64783818
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylbutan-1-amine
CID 64778474
1-(1-butan-2-ylpyrazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312016
5-(1-butan-2-ylpyrazol-3-yl)-4,4-dimethylpentan-2-amine
CID 64778198
1-[(2S)-butan-2-yl]pyrazol-3-amine
CID 28841775
N-ethyl-2-methyl-6-(1-pentan-3-ylpyrazol-3-yl)hexan-3-amine
CID 64777005
2-amino-3-(1-butan-2-ylpyrazol-3-yl)propanamide
CID 64991110
1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine
CID 79097208

Frequently Asked Questions

What is the IUPAC name of 6-(1-butan-2-ylpyrazol-3-yl)-2-methylhexan-3-amine?
The IUPAC name of 6-(1-butan-2-ylpyrazol-3-yl)-2-methylhexan-3-amine (CID 64778152) is 6-(1-butan-2-ylpyrazol-3-yl)-2-methylhexan-3-amine.
What is the SMILES notation for 6-(1-butan-2-ylpyrazol-3-yl)-2-methylhexan-3-amine?
The canonical SMILES for 6-(1-butan-2-ylpyrazol-3-yl)-2-methylhexan-3-amine is CCC(C)n1ccc(CCCC(N)C(C)C)n1.
What is the InChIKey of 6-(1-butan-2-ylpyrazol-3-yl)-2-methylhexan-3-amine?
The InChIKey is FSIKCLNUYADKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-5-12(4)17-10-9-13(16-17)7-6-8-14(15)11(2)3/h9-12,14H,5-8,15H2,1-4H3.
What are the key properties of 6-(1-butan-2-ylpyrazol-3-yl)-2-methylhexan-3-amine?
6-(1-butan-2-ylpyrazol-3-yl)-2-methylhexan-3-amine has a molecular weight of 237.39 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-butan-2-ylpyrazol-3-yl)-2-methylhexan-3-amine is sourced from PubChem (CID 64778152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).