N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]-4-propylcyclohexyl]methyl]ethanamine

C18H33N3 — CID 103020129

IUPACN-[[2-[2-(2-methylpyrazol-3-yl)ethyl]-4-propylcyclohexyl]methyl]ethanamine
SMILESCCCC1CCC(CNCC)C(CCc2ccnn2C)C1
InChIInChI=1S/C18H33N3/c1-4-6-15-7-8-17(14-19-5-2)16(13-15)9-10-18-11-12-20-21(18)3/h11-12,15-17,19H,4-10,13-14H2,1-3H3
InChIKeyZXQKEEWIAHLOAI-UHFFFAOYSA-N
MW291.48 g/mol
LogP3.79
Rot. Bonds8

About N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]-4-propylcyclohexyl]methyl]ethanamine

N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]-4-propylcyclohexyl]methyl]ethanamine (PubChem CID 103020129) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]-4-propylcyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[2-(2-methylpyrazol-3-yl)ethyl]-4-propylcyclohexyl]methyl]ethanamine
PubChem CID103020129
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN-[[2-[2-(2-methylpyrazol-3-yl)ethyl]-4-propylcyclohexyl]methyl]ethanamine
SMILESCCCC1CCC(CNCC)C(CCc2ccnn2C)C1
InChIInChI=1S/C18H33N3/c1-4-6-15-7-8-17(14-19-5-2)16(13-15)9-10-18-11-12-20-21(18)3/h11-12,15-17,19H,4-10,13-14H2,1-3H3
InChIKeyZXQKEEWIAHLOAI-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]cycloheptyl]methyl]ethanamine
CID 103020025
3-[2-(2-methylpyrazol-3-yl)ethyl]-N-propylcyclopentan-1-amine
CID 103015900
N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]ethanamine
CID 81034508
[4-tert-butyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexyl]methanamine
CID 103019741
N-[[4-ethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 114533031
1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 43663124
N-[[2-(2-ethylbutyl)-4-propylcyclohexyl]methyl]ethanamine
CID 82935925
N-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 103004400
4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxylic acid
CID 103019597
N-[[2-(2-methylpentyl)-4-propylcyclohexyl]methyl]ethanamine
CID 81029529
N-[[4-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]ethanamine
CID 116628199
2-(1-methylpiperidin-4-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 103002255

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]-4-propylcyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]-4-propylcyclohexyl]methyl]ethanamine (CID 103020129) is N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]-4-propylcyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]-4-propylcyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]-4-propylcyclohexyl]methyl]ethanamine is CCCC1CCC(CNCC)C(CCc2ccnn2C)C1.
What is the InChIKey of N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]-4-propylcyclohexyl]methyl]ethanamine?
The InChIKey is ZXQKEEWIAHLOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-4-6-15-7-8-17(14-19-5-2)16(13-15)9-10-18-11-12-20-21(18)3/h11-12,15-17,19H,4-10,13-14H2,1-3H3.
What are the key properties of N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]-4-propylcyclohexyl]methyl]ethanamine?
N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]-4-propylcyclohexyl]methyl]ethanamine has a molecular weight of 291.48 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]-4-propylcyclohexyl]methyl]ethanamine is sourced from PubChem (CID 103020129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).