N-methyl-1-(4-methylcyclohexyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine

C16H29N3 — CID 105153695

IUPACN-methyl-1-(4-methylcyclohexyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCNC(Cc1c(C)nn(C)c1C)C1CCC(C)CC1
InChIInChI=1S/C16H29N3/c1-11-6-8-14(9-7-11)16(17-4)10-15-12(2)18-19(5)13(15)3/h11,14,16-17H,6-10H2,1-5H3
InChIKeyYUXFRTRARJHNCS-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.99
Rot. Bonds4

About N-methyl-1-(4-methylcyclohexyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine

N-methyl-1-(4-methylcyclohexyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine (PubChem CID 105153695) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-methyl-1-(4-methylcyclohexyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylcyclohexyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
PubChem CID105153695
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-methyl-1-(4-methylcyclohexyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCNC(Cc1c(C)nn(C)c1C)C1CCC(C)CC1
InChIInChI=1S/C16H29N3/c1-11-6-8-14(9-7-11)16(17-4)10-15-12(2)18-19(5)13(15)3/h11,14,16-17H,6-10H2,1-5H3
InChIKeyYUXFRTRARJHNCS-UHFFFAOYSA-N
XLogP2.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-cyclobutyl-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105340222
N-methyl-1-(oxan-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105138618
1-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 79225182
N-methyl-1-(4-methylcyclohexyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 79752220
[1-(oxolan-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105306650
[1-(2-ethylcyclohexyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105309756
[1-cyclohexyl-3-(1,3,5-trimethylpyrazol-4-yl)propyl]hydrazine
CID 105282113
N-(1-cyclopropylbutyl)-1,3,5-trimethylpyrazol-4-amine
CID 115927532
N-(4-methylcyclohexyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 36908003
1-(oxan-4-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105147287
1-cyclobutyl-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105187556
[(4-methylcyclohexyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105311803

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylcyclohexyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The IUPAC name of N-methyl-1-(4-methylcyclohexyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine (CID 105153695) is N-methyl-1-(4-methylcyclohexyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(4-methylcyclohexyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-methyl-1-(4-methylcyclohexyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine is CNC(Cc1c(C)nn(C)c1C)C1CCC(C)CC1.
What is the InChIKey of N-methyl-1-(4-methylcyclohexyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The InChIKey is YUXFRTRARJHNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-11-6-8-14(9-7-11)16(17-4)10-15-12(2)18-19(5)13(15)3/h11,14,16-17H,6-10H2,1-5H3.
What are the key properties of N-methyl-1-(4-methylcyclohexyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
N-methyl-1-(4-methylcyclohexyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine has a molecular weight of 263.43 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylcyclohexyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 105153695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).