N-[2-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)ethyl]propan-1-amine

C18H33N3 — CID 105135714

IUPACN-[2-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCCCC1)c1cc(CC)nn1CC
InChIInChI=1S/C18H33N3/c1-4-12-19-17(13-15-10-8-7-9-11-15)18-14-16(5-2)20-21(18)6-3/h14-15,17,19H,4-13H2,1-3H3
InChIKeyYXIQMSJGEYHXAM-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.48
Rot. Bonds8

About N-[2-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)ethyl]propan-1-amine

N-[2-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)ethyl]propan-1-amine (PubChem CID 105135714) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N-[2-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)ethyl]propan-1-amine
PubChem CID105135714
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN-[2-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCCCC1)c1cc(CC)nn1CC
InChIInChI=1S/C18H33N3/c1-4-12-19-17(13-15-10-8-7-9-11-15)18-14-16(5-2)20-21(18)6-3/h14-15,17,19H,4-13H2,1-3H3
InChIKeyYXIQMSJGEYHXAM-UHFFFAOYSA-N
XLogP4.48
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 ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclohexyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
CID 105079721
N-[cyclopropyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
CID 105157194
1-(1,3-diethylpyrazol-5-yl)-5-methyl-N-propylhexan-1-amine
CID 105177082
[cyclohexyl-(1,3-diethylpyrazol-5-yl)methyl]hydrazine
CID 105282054
1-(1,3-diethylpyrazol-5-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105174359
1-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine
CID 105079431
N-(2-cycloheptyl-1-phenylethyl)propan-1-amine
CID 114457602
N-[cyclohepten-1-yl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
CID 106657100
2-cycloheptyl-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine
CID 115858127
1-cyclopentyl-3-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpropan-2-amine
CID 105002712
N-[2-cyclohexyl-1-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 43493979
2-(2-bicyclo[2.2.1]heptanyl)-1-(1,3-diethylpyrazol-5-yl)-N-ethylethanamine
CID 105167871

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)ethyl]propan-1-amine (CID 105135714) is N-[2-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)ethyl]propan-1-amine is CCCNC(CC1CCCCC1)c1cc(CC)nn1CC.
What is the InChIKey of N-[2-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)ethyl]propan-1-amine?
The InChIKey is YXIQMSJGEYHXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-4-12-19-17(13-15-10-8-7-9-11-15)18-14-16(5-2)20-21(18)6-3/h14-15,17,19H,4-13H2,1-3H3.
What are the key properties of N-[2-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)ethyl]propan-1-amine?
N-[2-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)ethyl]propan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105135714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).