[4-tert-butyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexyl]methanamine

C17H31N3 — CID 103019741

IUPAC[4-tert-butyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexyl]methanamine
SMILESCn1nccc1CCC1CC(C(C)(C)C)CCC1CN
InChIInChI=1S/C17H31N3/c1-17(2,3)15-7-5-14(12-18)13(11-15)6-8-16-9-10-19-20(16)4/h9-10,13-15H,5-8,11-12,18H2,1-4H3
InChIKeyPLVZWZSYHLSOTF-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.39
Rot. Bonds4

About [4-tert-butyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexyl]methanamine

[4-tert-butyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexyl]methanamine (PubChem CID 103019741) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is [4-tert-butyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexyl]methanamine
PubChem CID103019741
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name[4-tert-butyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexyl]methanamine
SMILESCn1nccc1CCC1CC(C(C)(C)C)CCC1CN
InChIInChI=1S/C17H31N3/c1-17(2,3)15-7-5-14(12-18)13(11-15)6-8-16-9-10-19-20(16)4/h9-10,13-15H,5-8,11-12,18H2,1-4H3
InChIKeyPLVZWZSYHLSOTF-UHFFFAOYSA-N
XLogP3.39
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2-methylpyrazol-3-yl)ethyl]thiolan-3-amine
CID 103004598
N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]-4-propylcyclohexyl]methyl]ethanamine
CID 103020129
1-(4-tert-butylcyclohexyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103010665
N-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 103004400
N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]cycloheptyl]methyl]ethanamine
CID 103020025
[4-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methanamine
CID 103005361
4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxylic acid
CID 103019597
3-cyclopropyl-1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 103006315
(2,4-ditert-butylcyclohexyl)methanamine
CID 81012705
[4-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methanamine
CID 81011481
[4-tert-butyl-2-[2-(oxolan-2-yl)ethyl]cyclohexyl]methanamine
CID 81012372
3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 103030834

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexyl]methanamine?
The IUPAC name of [4-tert-butyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexyl]methanamine (CID 103019741) is [4-tert-butyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-tert-butyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexyl]methanamine?
The canonical SMILES for [4-tert-butyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexyl]methanamine is Cn1nccc1CCC1CC(C(C)(C)C)CCC1CN.
What is the InChIKey of [4-tert-butyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexyl]methanamine?
The InChIKey is PLVZWZSYHLSOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-17(2,3)15-7-5-14(12-18)13(11-15)6-8-16-9-10-19-20(16)4/h9-10,13-15H,5-8,11-12,18H2,1-4H3.
What are the key properties of [4-tert-butyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexyl]methanamine?
[4-tert-butyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexyl]methanamine has a molecular weight of 277.46 g/mol, XLogP of 3.39, 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-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexyl]methanamine is sourced from PubChem (CID 103019741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).