N-[cyclooctyl-(2-propylpyrazol-3-yl)methyl]ethanamine

C17H31N3 — CID 80603885

IUPACN-[cyclooctyl-(2-propylpyrazol-3-yl)methyl]ethanamine
SMILESCCCn1nccc1C(NCC)C1CCCCCCC1
InChIInChI=1S/C17H31N3/c1-3-14-20-16(12-13-19-20)17(18-4-2)15-10-8-6-5-7-9-11-15/h12-13,15,17-18H,3-11,14H2,1-2H3
InChIKeyCIGJGEMYDHVOJB-UHFFFAOYSA-N
MW277.46 g/mol
LogP4.30
Rot. Bonds6

About N-[cyclooctyl-(2-propylpyrazol-3-yl)methyl]ethanamine

N-[cyclooctyl-(2-propylpyrazol-3-yl)methyl]ethanamine (PubChem CID 80603885) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-[cyclooctyl-(2-propylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclooctyl-(2-propylpyrazol-3-yl)methyl]ethanamine
PubChem CID80603885
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-[cyclooctyl-(2-propylpyrazol-3-yl)methyl]ethanamine
SMILESCCCn1nccc1C(NCC)C1CCCCCCC1
InChIInChI=1S/C17H31N3/c1-3-14-20-16(12-13-19-20)17(18-4-2)15-10-8-6-5-7-9-11-15/h12-13,15,17-18H,3-11,14H2,1-2H3
InChIKeyCIGJGEMYDHVOJB-UHFFFAOYSA-N
XLogP4.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 63974485
N-[(2,2-dimethylcyclopentyl)-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 107188792
1-cyclopentyl-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 63976376
N-[(3-ethylcyclohexyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 65415353
N-[(1,4-dimethylpiperazin-2-yl)-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 79658937
[2-cyclopentyl-1-(2-propylpyrazol-3-yl)ethyl]hydrazine
CID 105307026
N-methyl-1-(2-propylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105148223
[2-cyclohexyl-2-methoxy-1-(2-propylpyrazol-3-yl)ethyl]hydrazine
CID 105278592
N-[(2,2-dimethylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 107188801
[2-cyclohexyl-2-ethoxy-1-(2-propylpyrazol-3-yl)ethyl]hydrazine
CID 105278818
N-ethyl-1-(2-propylpyrazol-3-yl)pentan-1-amine
CID 79405561
1-(2,2-dimethylcyclohexyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 107188799

Frequently Asked Questions

What is the IUPAC name of N-[cyclooctyl-(2-propylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[cyclooctyl-(2-propylpyrazol-3-yl)methyl]ethanamine (CID 80603885) is N-[cyclooctyl-(2-propylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[cyclooctyl-(2-propylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[cyclooctyl-(2-propylpyrazol-3-yl)methyl]ethanamine is CCCn1nccc1C(NCC)C1CCCCCCC1.
What is the InChIKey of N-[cyclooctyl-(2-propylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is CIGJGEMYDHVOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-3-14-20-16(12-13-19-20)17(18-4-2)15-10-8-6-5-7-9-11-15/h12-13,15,17-18H,3-11,14H2,1-2H3.
What are the key properties of N-[cyclooctyl-(2-propylpyrazol-3-yl)methyl]ethanamine?
N-[cyclooctyl-(2-propylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 277.46 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclooctyl-(2-propylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 80603885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).