4-butyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine

C16H29N3 — CID 103017111

IUPAC4-butyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
SMILESCCCCC1CCC(N)(CCc2ccnn2C)CC1
InChIInChI=1S/C16H29N3/c1-3-4-5-14-6-10-16(17,11-7-14)12-8-15-9-13-18-19(15)2/h9,13-14H,3-8,10-12,17H2,1-2H3
InChIKeyXLPDLPPAGBFTFL-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.43
Rot. Bonds6

About 4-butyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine

4-butyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine (PubChem CID 103017111) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 4-butyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-butyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
PubChem CID103017111
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name4-butyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
SMILESCCCCC1CCC(N)(CCc2ccnn2C)CC1
InChIInChI=1S/C16H29N3/c1-3-4-5-14-6-10-16(17,11-7-14)12-8-15-9-13-18-19(15)2/h9,13-14H,3-8,10-12,17H2,1-2H3
InChIKeyXLPDLPPAGBFTFL-UHFFFAOYSA-N
XLogP3.43
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 4-butyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine (CID 103017111) is 4-butyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-butyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-butyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine is CCCCC1CCC(N)(CCc2ccnn2C)CC1.
What is the InChIKey of 4-butyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine?
The InChIKey is XLPDLPPAGBFTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-3-4-5-14-6-10-16(17,11-7-14)12-8-15-9-13-18-19(15)2/h9,13-14H,3-8,10-12,17H2,1-2H3.
What are the key properties of 4-butyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine?
4-butyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 103017111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).