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

C16H29N3 — CID 62127480

IUPAC2-tert-butyl-1-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-amine
SMILESCCn1cc(CC2(N)CCCCC2C(C)(C)C)cn1
InChIInChI=1S/C16H29N3/c1-5-19-12-13(11-18-19)10-16(17)9-7-6-8-14(16)15(2,3)4/h11-12,14H,5-10,17H2,1-4H3
InChIKeyGNKRZUTXSMNAQE-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.38
Rot. Bonds3

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

2-tert-butyl-1-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-amine (PubChem CID 62127480) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-tert-butyl-1-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-1-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-amine
PubChem CID62127480
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name2-tert-butyl-1-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-amine
SMILESCCn1cc(CC2(N)CCCCC2C(C)(C)C)cn1
InChIInChI=1S/C16H29N3/c1-5-19-12-13(11-18-19)10-16(17)9-7-6-8-14(16)15(2,3)4/h11-12,14H,5-10,17H2,1-4H3
InChIKeyGNKRZUTXSMNAQE-UHFFFAOYSA-N
XLogP3.38
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-ethylpyrazol-4-yl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65083823
2-tert-butyl-1-[(4-ethylphenyl)methyl]cyclohexan-1-amine
CID 63408085
4-tert-butyl-1-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-ol
CID 62126069
2-methyl-1-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62127317
2-tert-butyl-1-[(3,4-dimethylphenyl)methyl]cyclohexan-1-amine
CID 63408173
2-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 60797418
N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194328
N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine
CID 65194929
1-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]cyclobutan-1-amine
CID 115673834
2-tert-butyl-1-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 79824548
2-tert-butyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 79744341
1-butyl-2-tert-butylcyclohexan-1-amine
CID 63408346

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-1-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-amine (CID 62127480) is 2-tert-butyl-1-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-1-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-1-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-amine is CCn1cc(CC2(N)CCCCC2C(C)(C)C)cn1.
What is the InChIKey of 2-tert-butyl-1-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-amine?
The InChIKey is GNKRZUTXSMNAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-5-19-12-13(11-18-19)10-16(17)9-7-6-8-14(16)15(2,3)4/h11-12,14H,5-10,17H2,1-4H3.
What are the key properties of 2-tert-butyl-1-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-amine?
2-tert-butyl-1-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 62127480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).