1-(3-ethylcyclohexyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine

C18H33N3 — CID 103010677

IUPAC1-(3-ethylcyclohexyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1cnn(C)c1)C1CCCC(CC)C1
InChIInChI=1S/C18H33N3/c1-4-11-19-18(10-9-16-13-20-21(3)14-16)17-8-6-7-15(5-2)12-17/h13-15,17-19H,4-12H2,1-3H3
InChIKeyZKJCWUXACYTIJV-UHFFFAOYSA-N
MW291.48 g/mol
LogP3.94
Rot. Bonds8

About 1-(3-ethylcyclohexyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine

1-(3-ethylcyclohexyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine (PubChem CID 103010677) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-(3-ethylcyclohexyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3-ethylcyclohexyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
PubChem CID103010677
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name1-(3-ethylcyclohexyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1cnn(C)c1)C1CCCC(CC)C1
InChIInChI=1S/C18H33N3/c1-4-11-19-18(10-9-16-13-20-21(3)14-16)17-8-6-7-15(5-2)12-17/h13-15,17-19H,4-12H2,1-3H3
InChIKeyZKJCWUXACYTIJV-UHFFFAOYSA-N
XLogP3.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 107191671
N-ethyl-1-(3-ethylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 65413948
1-(5-methyloxolan-3-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103030028
2-cyclopentyl-4-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine
CID 103014821
N-[1-cyclohexyl-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 62126447
N-methyl-1-(3-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103009708
[1-cycloheptyl-3-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 103025788
[1-(3-ethylcyclopentyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105233556
1-(3-ethylcyclohexyl)-4-methoxy-N-propylpentan-1-amine
CID 105156081
N',N'-diethyl-1-(3-ethylcyclohexyl)-N-propylpropane-1,3-diamine
CID 79093322
N-methyl-3-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 103029967
N-[(3-ethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 65195064

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclohexyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(3-ethylcyclohexyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine (CID 103010677) is 1-(3-ethylcyclohexyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3-ethylcyclohexyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(3-ethylcyclohexyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine is CCCNC(CCc1cnn(C)c1)C1CCCC(CC)C1.
What is the InChIKey of 1-(3-ethylcyclohexyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
The InChIKey is ZKJCWUXACYTIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-4-11-19-18(10-9-16-13-20-21(3)14-16)17-8-6-7-15(5-2)12-17/h13-15,17-19H,4-12H2,1-3H3.
What are the key properties of 1-(3-ethylcyclohexyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
1-(3-ethylcyclohexyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclohexyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 103010677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).