3,3,5-trimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine

C15H27N3 — CID 112730162

IUPAC3,3,5-trimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine
SMILESCC1CC(NCCc2cnn(C)c2)CC(C)(C)C1
InChIInChI=1S/C15H27N3/c1-12-7-14(9-15(2,3)8-12)16-6-5-13-10-17-18(4)11-13/h10-12,14,16H,5-9H2,1-4H3
InChIKeySXSOGYXRXNKOJJ-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.77
Rot. Bonds4

About 3,3,5-trimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine

3,3,5-trimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine (PubChem CID 112730162) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 3,3,5-trimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,3,5-trimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine
PubChem CID112730162
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name3,3,5-trimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine
SMILESCC1CC(NCCc2cnn(C)c2)CC(C)(C)C1
InChIInChI=1S/C15H27N3/c1-12-7-14(9-15(2,3)8-12)16-6-5-13-10-17-18(4)11-13/h10-12,14,16H,5-9H2,1-4H3
InChIKeySXSOGYXRXNKOJJ-UHFFFAOYSA-N
XLogP2.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentanamine
CID 112730166
3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]cyclopentan-1-amine
CID 115653177
N-[2-(1-methylpyrazol-4-yl)ethyl]oxetan-3-amine
CID 80683078
2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine
CID 80682729
2,2-diethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine
CID 103001948
N-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine
CID 80682977
3,3,5-trimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 103884313
N-[2-(1-methylpyrazol-4-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 80689155
2,4,4-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine
CID 106662388
3-(3-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutan-1-amine
CID 80682298
[3,3,5-trimethyl-1-[3-(1-methylpyrazol-4-yl)propylamino]cyclohexyl]methanol
CID 111757457
2,4,4-trimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-ol
CID 103006543

Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 3,3,5-trimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine (CID 112730162) is 3,3,5-trimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 3,3,5-trimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 3,3,5-trimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine is CC1CC(NCCc2cnn(C)c2)CC(C)(C)C1.
What is the InChIKey of 3,3,5-trimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine?
The InChIKey is SXSOGYXRXNKOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-12-7-14(9-15(2,3)8-12)16-6-5-13-10-17-18(4)11-13/h10-12,14,16H,5-9H2,1-4H3.
What are the key properties of 3,3,5-trimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine?
3,3,5-trimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 112730162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).