4-tert-butyl-2-(1-ethylpyrazol-4-yl)cyclohexan-1-amine

C15H27N3 — CID 81014852

IUPAC4-tert-butyl-2-(1-ethylpyrazol-4-yl)cyclohexan-1-amine
SMILESCCn1cc(C2CC(C(C)(C)C)CCC2N)cn1
InChIInChI=1S/C15H27N3/c1-5-18-10-11(9-17-18)13-8-12(15(2,3)4)6-7-14(13)16/h9-10,12-14H,5-8,16H2,1-4H3
InChIKeySUCSTNSEICVUEP-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.16
Rot. Bonds2

About 4-tert-butyl-2-(1-ethylpyrazol-4-yl)cyclohexan-1-amine

4-tert-butyl-2-(1-ethylpyrazol-4-yl)cyclohexan-1-amine (PubChem CID 81014852) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-tert-butyl-2-(1-ethylpyrazol-4-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-(1-ethylpyrazol-4-yl)cyclohexan-1-amine
PubChem CID81014852
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name4-tert-butyl-2-(1-ethylpyrazol-4-yl)cyclohexan-1-amine
SMILESCCn1cc(C2CC(C(C)(C)C)CCC2N)cn1
InChIInChI=1S/C15H27N3/c1-5-18-10-11(9-17-18)13-8-12(15(2,3)4)6-7-14(13)16/h9-10,12-14H,5-8,16H2,1-4H3
InChIKeySUCSTNSEICVUEP-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-2-(1-propylpyrazol-4-yl)cyclohexan-1-amine
CID 81014748
[4-ethyl-2-(1-ethylpyrazol-4-yl)cyclohexyl]methanamine
CID 81012445
2-(1-ethylpyrazol-4-yl)oxolan-3-amine
CID 103848592
[2-(1-ethylpyrazol-4-yl)cyclopropyl]methanol
CID 103571107
N-[[2-(1-ethylpyrazol-4-yl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81017767
2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-2-amine
CID 103700228
[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 96835165
2-(1-ethylpyrazol-4-yl)cyclohexan-1-ol
CID 62595255
(5R,6R)-5-amino-6-(1-ethylpyrazol-4-yl)piperidin-2-one
CID 124681117
4-tert-butyl-2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62125698
4-tert-butyl-2-(1-propylimidazol-2-yl)cyclohexan-1-amine
CID 81014963
[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methanamine
CID 122164121

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(1-ethylpyrazol-4-yl)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-(1-ethylpyrazol-4-yl)cyclohexan-1-amine (CID 81014852) is 4-tert-butyl-2-(1-ethylpyrazol-4-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-(1-ethylpyrazol-4-yl)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-(1-ethylpyrazol-4-yl)cyclohexan-1-amine is CCn1cc(C2CC(C(C)(C)C)CCC2N)cn1.
What is the InChIKey of 4-tert-butyl-2-(1-ethylpyrazol-4-yl)cyclohexan-1-amine?
The InChIKey is SUCSTNSEICVUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-18-10-11(9-17-18)13-8-12(15(2,3)4)6-7-14(13)16/h9-10,12-14H,5-8,16H2,1-4H3.
What are the key properties of 4-tert-butyl-2-(1-ethylpyrazol-4-yl)cyclohexan-1-amine?
4-tert-butyl-2-(1-ethylpyrazol-4-yl)cyclohexan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.16, 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-ethylpyrazol-4-yl)cyclohexan-1-amine is sourced from PubChem (CID 81014852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).