4-tert-butyl-N-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine

C18H33N3 — CID 64771322

IUPAC4-tert-butyl-N-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine
SMILESCNC1CCC(C(C)(C)C)CC1Cc1ccn(C(C)C)n1
InChIInChI=1S/C18H33N3/c1-13(2)21-10-9-16(20-21)12-14-11-15(18(3,4)5)7-8-17(14)19-6/h9-10,13-15,17,19H,7-8,11-12H2,1-6H3
InChIKeyMZGSZWMXXFSDID-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.06
Rot. Bonds4

About 4-tert-butyl-N-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine

4-tert-butyl-N-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine (PubChem CID 64771322) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 4-tert-butyl-N-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine
PubChem CID64771322
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name4-tert-butyl-N-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine
SMILESCNC1CCC(C(C)(C)C)CC1Cc1ccn(C(C)C)n1
InChIInChI=1S/C18H33N3/c1-13(2)21-10-9-16(20-21)12-14-11-15(18(3,4)5)7-8-17(14)19-6/h9-10,13-15,17,19H,7-8,11-12H2,1-6H3
InChIKeyMZGSZWMXXFSDID-UHFFFAOYSA-N
XLogP4.06
TPSA29.85 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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-2-[(3,5-difluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 105404547
[4-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methanamine
CID 81011938
1-[4-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine
CID 81032455
2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptan-1-ol
CID 64772657
3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-4-ol
CID 106471105
4-tert-butyl-2-[(1-methylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 82881615
2-[[butan-2-yl(ethyl)amino]methyl]-4-tert-butyl-N-methylcyclohexan-1-amine
CID 63483811
3-[(3-chlorocyclohexyl)methyl]-1-propan-2-ylpyrazole
CID 64801732
N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptyl]methyl]ethanamine
CID 81026099
2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81028346
2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81027054
4-[(1-propan-2-ylpyrazol-3-yl)methyl]thiolan-3-ol
CID 83190389

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine (CID 64771322) is 4-tert-butyl-N-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine is CNC1CCC(C(C)(C)C)CC1Cc1ccn(C(C)C)n1.
What is the InChIKey of 4-tert-butyl-N-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine?
The InChIKey is MZGSZWMXXFSDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-13(2)21-10-9-16(20-21)12-14-11-15(18(3,4)5)7-8-17(14)19-6/h9-10,13-15,17,19H,7-8,11-12H2,1-6H3.
What are the key properties of 4-tert-butyl-N-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine?
4-tert-butyl-N-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 64771322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).