4-tert-butyl-2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine

C15H27N3 — CID 62125698

IUPAC4-tert-butyl-2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
SMILESCn1cc(CC2CC(C(C)(C)C)CCC2N)cn1
InChIInChI=1S/C15H27N3/c1-15(2,3)13-5-6-14(16)12(8-13)7-11-9-17-18(4)10-11/h9-10,12-14H,5-8,16H2,1-4H3
InChIKeyLLMGGSPYUOUXGQ-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.75
Rot. Bonds2

About 4-tert-butyl-2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine

4-tert-butyl-2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine (PubChem CID 62125698) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-tert-butyl-2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
PubChem CID62125698
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name4-tert-butyl-2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
SMILESCn1cc(CC2CC(C(C)(C)C)CCC2N)cn1
InChIInChI=1S/C15H27N3/c1-15(2,3)13-5-6-14(16)12(8-13)7-11-9-17-18(4)10-11/h9-10,12-14H,5-8,16H2,1-4H3
InChIKeyLLMGGSPYUOUXGQ-UHFFFAOYSA-N
XLogP2.75
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62127990
4-tert-butyl-2-(1-propylpyrazol-4-yl)cyclohexan-1-amine
CID 81014748
[4-tert-butyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methanamine
CID 103014414
1-(4-tert-butylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 65402789
4-tert-butyl-2-(1-ethylpyrazol-4-yl)cyclohexan-1-amine
CID 81014852
2-[(3-bromo-4-methoxyphenyl)methyl]-4-tert-butylcyclohexan-1-amine
CID 63401667
1-[(2-amino-5-tert-butylcyclohexyl)methyl]pyrrolidine-3,4-diol
CID 106674063
4-tert-butyl-2-[(2,3-dichlorophenyl)methyl]cyclohexan-1-amine
CID 107307083
2-methyl-N-[[2-[(1-methylpyrazol-4-yl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81025118
1-(4-tert-butylcyclohexyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 65403165
4-[(3-bromo-2-methylcyclopentyl)methyl]-1-methylpyrazole
CID 64910348
2-[(1-ethylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine
CID 62128171

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine (CID 62125698) is 4-tert-butyl-2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine is Cn1cc(CC2CC(C(C)(C)C)CCC2N)cn1.
What is the InChIKey of 4-tert-butyl-2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine?
The InChIKey is LLMGGSPYUOUXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-15(2,3)13-5-6-14(16)12(8-13)7-11-9-17-18(4)10-11/h9-10,12-14H,5-8,16H2,1-4H3.
What are the key properties of 4-tert-butyl-2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine?
4-tert-butyl-2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 62125698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).