2-tert-butyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine

C15H27N3 — CID 106209229

IUPAC2-tert-butyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine
SMILESCC(NC1CCCCC1C(C)(C)C)c1cn[nH]c1
InChIInChI=1S/C15H27N3/c1-11(12-9-16-17-10-12)18-14-8-6-5-7-13(14)15(2,3)4/h9-11,13-14,18H,5-8H2,1-4H3,(H,16,17)
InChIKeyLILLHGQCXLGJIN-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.67
Rot. Bonds3

About 2-tert-butyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine

2-tert-butyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine (PubChem CID 106209229) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-tert-butyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine
PubChem CID106209229
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-tert-butyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine
SMILESCC(NC1CCCCC1C(C)(C)C)c1cn[nH]c1
InChIInChI=1S/C15H27N3/c1-11(12-9-16-17-10-12)18-14-8-6-5-7-13(14)15(2,3)4/h9-11,13-14,18H,5-8H2,1-4H3,(H,16,17)
InChIKeyLILLHGQCXLGJIN-UHFFFAOYSA-N
XLogP3.67
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopentan-1-amine
CID 106209280
3,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 103922095
2-tert-butyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
CID 81364809
2-tert-butyl-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
CID 81369390
2-tert-butyl-N-[1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
CID 43078909
4-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 103905109
1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidin-4-amine
CID 103905191
N-[1-(3-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine
CID 43673221
1-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]thian-4-amine
CID 106209325
3-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 103905316
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 81346875
2-tert-butyl-N-[1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 43079642

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine (CID 106209229) is 2-tert-butyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine is CC(NC1CCCCC1C(C)(C)C)c1cn[nH]c1.
What is the InChIKey of 2-tert-butyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine?
The InChIKey is LILLHGQCXLGJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-11(12-9-16-17-10-12)18-14-8-6-5-7-13(14)15(2,3)4/h9-11,13-14,18H,5-8H2,1-4H3,(H,16,17).
What are the key properties of 2-tert-butyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine?
2-tert-butyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 106209229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).