1-(4-tert-butylcyclohexyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine

C17H31N3 — CID 65403165

IUPAC1-(4-tert-butylcyclohexyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCNC(Cc1cnn(C)c1)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H31N3/c1-17(2,3)15-8-6-14(7-9-15)16(18-4)10-13-11-19-20(5)12-13/h11-12,14-16,18H,6-10H2,1-5H3
InChIKeyGGYCYKXBIZOYAY-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.40
Rot. Bonds4

About 1-(4-tert-butylcyclohexyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine

1-(4-tert-butylcyclohexyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 65403165) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
PubChem CID65403165
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name1-(4-tert-butylcyclohexyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCNC(Cc1cnn(C)c1)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H31N3/c1-17(2,3)15-8-6-14(7-9-15)16(18-4)10-13-11-19-20(5)12-13/h11-12,14-16,18H,6-10H2,1-5H3
InChIKeyGGYCYKXBIZOYAY-UHFFFAOYSA-N
XLogP3.40
TPSA29.85 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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclooctyl-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 80602955
1-(4-ethylcyclohexyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 65393940
1-(4-tert-butylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 65402789
1-cyclopropyl-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 63354994
N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 103030167
N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)propan-1-amine
CID 103010653
[1-(3-ethylcyclopentyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105233556
N-[1-cyclohexyl-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 62126447
1-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 64920356
1-cyclopropyl-1-methoxy-N-methyl-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 116722205
1-cyclooctyl-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 80603195
[1-(4,4-difluorocyclohexyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105291188

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine (CID 65403165) is 1-(4-tert-butylcyclohexyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine is CNC(Cc1cnn(C)c1)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is GGYCYKXBIZOYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-17(2,3)15-8-6-14(7-9-15)16(18-4)10-13-11-19-20(5)12-13/h11-12,14-16,18H,6-10H2,1-5H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine?
1-(4-tert-butylcyclohexyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 277.46 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 65403165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).