[4-tert-butyl-2-(3,5-diethylpyrazol-1-yl)cyclohexyl]methanamine

C18H33N3 — CID 82696080

IUPAC[4-tert-butyl-2-(3,5-diethylpyrazol-1-yl)cyclohexyl]methanamine
SMILESCCc1cc(CC)n(C2CC(C(C)(C)C)CCC2CN)n1
InChIInChI=1S/C18H33N3/c1-6-15-11-16(7-2)21(20-15)17-10-14(18(3,4)5)9-8-13(17)12-19/h11,13-14,17H,6-10,12,19H2,1-5H3
InChIKeyHOTLIZZQQMRXCG-UHFFFAOYSA-N
MW291.48 g/mol
LogP3.97
Rot. Bonds4

About [4-tert-butyl-2-(3,5-diethylpyrazol-1-yl)cyclohexyl]methanamine

[4-tert-butyl-2-(3,5-diethylpyrazol-1-yl)cyclohexyl]methanamine (PubChem CID 82696080) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is [4-tert-butyl-2-(3,5-diethylpyrazol-1-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-2-(3,5-diethylpyrazol-1-yl)cyclohexyl]methanamine
PubChem CID82696080
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name[4-tert-butyl-2-(3,5-diethylpyrazol-1-yl)cyclohexyl]methanamine
SMILESCCc1cc(CC)n(C2CC(C(C)(C)C)CCC2CN)n1
InChIInChI=1S/C18H33N3/c1-6-15-11-16(7-2)21(20-15)17-10-14(18(3,4)5)9-8-13(17)12-19/h11,13-14,17H,6-10,12,19H2,1-5H3
InChIKeyHOTLIZZQQMRXCG-UHFFFAOYSA-N
XLogP3.97
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-tert-butyl-2-(3,5-diethylpyrazol-1-yl)cyclohexyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,5-diethylpyrazol-1-yl)cyclopentan-1-amine
CID 82692230
2-(3,5-diethylpyrazol-1-yl)-4-ethylcyclohexan-1-amine
CID 82692586
[4-tert-butyl-2-(4,5-dimethylimidazol-1-yl)cyclohexyl]methanamine
CID 62351078
N-[[2-(3,5-diethylpyrazol-1-yl)cyclobutyl]methyl]cyclopropanamine
CID 82693803
3-(3,5-diethylpyrazol-1-yl)cyclopentan-1-amine
CID 82692472
3-(3,5-diethylpyrazol-1-yl)-4-methylpiperidine
CID 82695446
2-(3,5-diethylpyrazol-1-yl)-4-propylcyclohexan-1-ol
CID 82695455
(4-tert-butyl-2-piperidin-1-ylcyclohexyl)methanamine
CID 43293404
[4-ethyl-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexyl]methanamine
CID 81012010
[4-(2-methylbutan-2-yl)-2-(3,4,5-trimethylpyrazol-1-yl)cyclohexyl]methanamine
CID 61226329
(2,4-ditert-butylcyclohexyl)methanamine
CID 81012705
1-[2-(aminomethyl)-5-tert-butylcyclohexyl]azepane-2,7-dione
CID 43519473

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-(3,5-diethylpyrazol-1-yl)cyclohexyl]methanamine?
The IUPAC name of [4-tert-butyl-2-(3,5-diethylpyrazol-1-yl)cyclohexyl]methanamine (CID 82696080) is [4-tert-butyl-2-(3,5-diethylpyrazol-1-yl)cyclohexyl]methanamine.
What is the SMILES notation for [4-tert-butyl-2-(3,5-diethylpyrazol-1-yl)cyclohexyl]methanamine?
The canonical SMILES for [4-tert-butyl-2-(3,5-diethylpyrazol-1-yl)cyclohexyl]methanamine is CCc1cc(CC)n(C2CC(C(C)(C)C)CCC2CN)n1.
What is the InChIKey of [4-tert-butyl-2-(3,5-diethylpyrazol-1-yl)cyclohexyl]methanamine?
The InChIKey is HOTLIZZQQMRXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-6-15-11-16(7-2)21(20-15)17-10-14(18(3,4)5)9-8-13(17)12-19/h11,13-14,17H,6-10,12,19H2,1-5H3.
What are the key properties of [4-tert-butyl-2-(3,5-diethylpyrazol-1-yl)cyclohexyl]methanamine?
[4-tert-butyl-2-(3,5-diethylpyrazol-1-yl)cyclohexyl]methanamine has a molecular weight of 291.48 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-(3,5-diethylpyrazol-1-yl)cyclohexyl]methanamine is sourced from PubChem (CID 82696080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).