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

C15H27N3 — CID 103019952

IUPACN-[[2-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCCCC1CCc1cnn(C)c1
InChIInChI=1S/C15H27N3/c1-3-16-11-15-7-5-4-6-14(15)9-8-13-10-17-18(2)12-13/h10,12,14-16H,3-9,11H2,1-2H3
InChIKeyMDNGSBOGMYFVNN-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.77
Rot. Bonds6

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

N-[[2-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]ethanamine (PubChem CID 103019952) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[[2-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]ethanamine
PubChem CID103019952
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[[2-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCCCC1CCc1cnn(C)c1
InChIInChI=1S/C15H27N3/c1-3-16-11-15-7-5-4-6-14(15)9-8-13-10-17-18(2)12-13/h10,12,14-16H,3-9,11H2,1-2H3
InChIKeyMDNGSBOGMYFVNN-UHFFFAOYSA-N
XLogP2.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-[2-(1-methylpyrazol-4-yl)ethyl]cycloheptyl]methyl]cyclopropanamine
CID 103020041
N-[[2-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentyl]methyl]cyclopropanamine
CID 103019932
N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]cycloheptyl]methyl]ethanamine
CID 103020025
2-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 64927615
1-methyl-4-propylpyrazole;propane
CID 155742221
N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentanamine
CID 112730166
1-cyclopentyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 43370784
2-methyl-N-[[2-[(1-methylpyrazol-4-yl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81025118
2-(chloromethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 106365346
N-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103004433
2-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutane-1-carboxylic acid
CID 103019561
2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62127990

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[2-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]ethanamine (CID 103019952) is N-[[2-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]ethanamine is CCNCC1CCCCC1CCc1cnn(C)c1.
What is the InChIKey of N-[[2-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]ethanamine?
The InChIKey is MDNGSBOGMYFVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-3-16-11-15-7-5-4-6-14(15)9-8-13-10-17-18(2)12-13/h10,12,14-16H,3-9,11H2,1-2H3.
What are the key properties of N-[[2-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]ethanamine?
N-[[2-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]ethanamine has a molecular weight of 249.40 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 103019952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).