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

C15H27N3 — CID 104694448

IUPAC3,3,5-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
SMILESCC1CC(NCCc2ccnn2C)CC(C)(C)C1
InChIInChI=1S/C15H27N3/c1-12-9-13(11-15(2,3)10-12)16-7-5-14-6-8-17-18(14)4/h6,8,12-13,16H,5,7,9-11H2,1-4H3
InChIKeyZVXJDXBAIFLLTQ-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.77
Rot. Bonds4

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

3,3,5-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine (PubChem CID 104694448) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 3,3,5-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,3,5-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
PubChem CID104694448
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name3,3,5-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
SMILESCC1CC(NCCc2ccnn2C)CC(C)(C)C1
InChIInChI=1S/C15H27N3/c1-12-9-13(11-15(2,3)10-12)16-7-5-14-6-8-17-18(14)4/h6,8,12-13,16H,5,7,9-11H2,1-4H3
InChIKeyZVXJDXBAIFLLTQ-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

4,4-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 104694248
2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclopropan-1-amine
CID 103001291
2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]oxan-4-amine
CID 104694550
2,2-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentan-1-amine
CID 104695058
1-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-amine
CID 104694957
1,2,5-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-amine
CID 104695040
3,3,5-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine
CID 63829195
1-cyano-3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclobutane-1-carboxamide
CID 104694756
(1R,4S)-1,3,3-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 103005369
N'-(3,3,5-trimethylcyclohexyl)ethane-1,2-diamine
CID 60887199
2-tert-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 104694927
N-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 104695103

Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 3,3,5-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine (CID 104694448) is 3,3,5-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 3,3,5-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 3,3,5-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine is CC1CC(NCCc2ccnn2C)CC(C)(C)C1.
What is the InChIKey of 3,3,5-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine?
The InChIKey is ZVXJDXBAIFLLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-12-9-13(11-15(2,3)10-12)16-7-5-14-6-8-17-18(14)4/h6,8,12-13,16H,5,7,9-11H2,1-4H3.
What are the key properties of 3,3,5-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine?
3,3,5-trimethyl-N-[2-(2-methylpyrazol-3-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-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 104694448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).