N-ethyl-1-(3-ethylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanamine

C16H29N3 — CID 65413948

IUPACN-ethyl-1-(3-ethylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCCNC(Cc1cnn(C)c1)C1CCCC(CC)C1
InChIInChI=1S/C16H29N3/c1-4-13-7-6-8-15(9-13)16(17-5-2)10-14-11-18-19(3)12-14/h11-13,15-17H,4-10H2,1-3H3
InChIKeyRWFPKUMTCKAAIM-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.16
Rot. Bonds6

About N-ethyl-1-(3-ethylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanamine

N-ethyl-1-(3-ethylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 65413948) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-ethyl-1-(3-ethylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-ethylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanamine
PubChem CID65413948
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-ethyl-1-(3-ethylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCCNC(Cc1cnn(C)c1)C1CCCC(CC)C1
InChIInChI=1S/C16H29N3/c1-4-13-7-6-8-15(9-13)16(17-5-2)10-14-11-18-19(3)12-14/h11-13,15-17H,4-10H2,1-3H3
InChIKeyRWFPKUMTCKAAIM-UHFFFAOYSA-N
XLogP3.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-ethylcyclopentyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105233556
1-(3-ethylcyclohexyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103010677
N-ethyl-1-(3-ethylcyclohexyl)-2-(4-ethylphenyl)ethanamine
CID 65414953
N-[(3-ethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 65195064
[1-(3-ethylcyclohexyl)-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine
CID 105232851
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 65392430
N-[1-cyclohexyl-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 62126447
1-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 115336880
1-(4-ethylcyclohexyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 65393940
1-cyclooctyl-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 80602955
3-[2-(ethylamino)-2-(3-ethylcyclohexyl)ethyl]pyridin-4-amine
CID 65413742
1-cyclohexyl-N-ethyl-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 104745255

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-ethylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of N-ethyl-1-(3-ethylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanamine (CID 65413948) is N-ethyl-1-(3-ethylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(3-ethylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(3-ethylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanamine is CCNC(Cc1cnn(C)c1)C1CCCC(CC)C1.
What is the InChIKey of N-ethyl-1-(3-ethylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is RWFPKUMTCKAAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-4-13-7-6-8-15(9-13)16(17-5-2)10-14-11-18-19(3)12-14/h11-13,15-17H,4-10H2,1-3H3.
What are the key properties of N-ethyl-1-(3-ethylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanamine?
N-ethyl-1-(3-ethylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 263.43 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-ethylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 65413948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).