2-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine

C13H23N3 — CID 43485883

IUPAC2-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCNC(CC1CCCCC1)c1cnn(C)c1
InChIInChI=1S/C13H23N3/c1-14-13(12-9-15-16(2)10-12)8-11-6-4-3-5-7-11/h9-11,13-14H,3-8H2,1-2H3
InChIKeyGWUXNDGZNSTIIF-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.65
Rot. Bonds4

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

2-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 43485883) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine
PubChem CID43485883
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCNC(CC1CCCCC1)c1cnn(C)c1
InChIInChI=1S/C13H23N3/c1-14-13(12-9-15-16(2)10-12)8-11-6-4-3-5-7-11/h9-11,13-14H,3-8H2,1-2H3
InChIKeyGWUXNDGZNSTIIF-UHFFFAOYSA-N
XLogP2.65
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(1-methylpyrazol-4-yl)-2-(oxolan-3-yl)ethanamine
CID 103986903
2-cyclobutyl-1-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 103168314
2-cyclohexylsulfanyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 65140108
2-cyclohexyl-1-(1-methylpyrazol-4-yl)ethanol
CID 61088408
2-(1,3-dioxolan-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 103546459
[3-cyclopentyl-1-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 105288733
N-ethyl-1-(1-methylpyrazol-4-yl)-2-(oxan-4-yl)ethanamine
CID 65195339
2-cyclopentyl-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 115807398
1-cyclopropyl-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 43485930
2-cyclopentyl-1-(2,6-dimethyl-4-pyridinyl)-N-methylethanamine
CID 107503517
2-cyclohexyl-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine
CID 62603934
2-cyclopentyl-N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 105043854

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine (CID 43485883) is 2-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine is CNC(CC1CCCCC1)c1cnn(C)c1.
What is the InChIKey of 2-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is GWUXNDGZNSTIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-14-13(12-9-15-16(2)10-12)8-11-6-4-3-5-7-11/h9-11,13-14H,3-8H2,1-2H3.
What are the key properties of 2-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine?
2-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 221.35 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 43485883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).