1-cyclooctyl-N-methyl-1-(1-propylpyrazol-4-yl)methanamine

C16H29N3 — CID 80603467

IUPAC1-cyclooctyl-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
SMILESCCCn1cc(C(NC)C2CCCCCCC2)cn1
InChIInChI=1S/C16H29N3/c1-3-11-19-13-15(12-18-19)16(17-2)14-9-7-5-4-6-8-10-14/h12-14,16-17H,3-11H2,1-2H3
InChIKeyUCVWUXRGNIRVMU-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.91
Rot. Bonds5

About 1-cyclooctyl-N-methyl-1-(1-propylpyrazol-4-yl)methanamine

1-cyclooctyl-N-methyl-1-(1-propylpyrazol-4-yl)methanamine (PubChem CID 80603467) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-cyclooctyl-N-methyl-1-(1-propylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name1-cyclooctyl-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
PubChem CID80603467
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name1-cyclooctyl-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
SMILESCCCn1cc(C(NC)C2CCCCCCC2)cn1
InChIInChI=1S/C16H29N3/c1-3-11-19-13-15(12-18-19)16(17-2)14-9-7-5-4-6-8-10-14/h12-14,16-17H,3-11H2,1-2H3
InChIKeyUCVWUXRGNIRVMU-UHFFFAOYSA-N
XLogP3.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(1-propylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105104088
cycloheptyl-(1-propylpyrazol-4-yl)methanol
CID 65398920
1-(1-ethylpyrazol-4-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65423611
1-cyclopropyl-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 43485930
[(4-propylcyclohexyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105232223
1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclooctyl-N-methylmethanamine
CID 114658830
1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclohexyl-N-methylmethanamine
CID 114647869
2-cyclopentyl-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 115807398
N,N-dimethyl-1-[methylamino-(1-propylpyrazol-4-yl)methyl]cycloheptan-1-amine
CID 79064560
1-(4,4-dimethylcyclohexyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 65390436
1-cyclooctyl-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 80603549
1-cyclobutyl-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 43486034

Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-N-methyl-1-(1-propylpyrazol-4-yl)methanamine?
The IUPAC name of 1-cyclooctyl-N-methyl-1-(1-propylpyrazol-4-yl)methanamine (CID 80603467) is 1-cyclooctyl-N-methyl-1-(1-propylpyrazol-4-yl)methanamine.
What is the SMILES notation for 1-cyclooctyl-N-methyl-1-(1-propylpyrazol-4-yl)methanamine?
The canonical SMILES for 1-cyclooctyl-N-methyl-1-(1-propylpyrazol-4-yl)methanamine is CCCn1cc(C(NC)C2CCCCCCC2)cn1.
What is the InChIKey of 1-cyclooctyl-N-methyl-1-(1-propylpyrazol-4-yl)methanamine?
The InChIKey is UCVWUXRGNIRVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-3-11-19-13-15(12-18-19)16(17-2)14-9-7-5-4-6-8-10-14/h12-14,16-17H,3-11H2,1-2H3.
What are the key properties of 1-cyclooctyl-N-methyl-1-(1-propylpyrazol-4-yl)methanamine?
1-cyclooctyl-N-methyl-1-(1-propylpyrazol-4-yl)methanamine has a molecular weight of 263.43 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-N-methyl-1-(1-propylpyrazol-4-yl)methanamine is sourced from PubChem (CID 80603467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).