N-[(1-ethylpyrazol-4-yl)methyl]cyclooctanamine

C14H25N3 — CID 62126333

IUPACN-[(1-ethylpyrazol-4-yl)methyl]cyclooctanamine
SMILESCCn1cc(CNC2CCCCCCC2)cn1
InChIInChI=1S/C14H25N3/c1-2-17-12-13(11-16-17)10-15-14-8-6-4-3-5-7-9-14/h11-12,14-15H,2-10H2,1H3
InChIKeyBBHBQPJRZQNCHC-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.11
Rot. Bonds4

About N-[(1-ethylpyrazol-4-yl)methyl]cyclooctanamine

N-[(1-ethylpyrazol-4-yl)methyl]cyclooctanamine (PubChem CID 62126333) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]cyclooctanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]cyclooctanamine
PubChem CID62126333
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]cyclooctanamine
SMILESCCn1cc(CNC2CCCCCCC2)cn1
InChIInChI=1S/C14H25N3/c1-2-17-12-13(11-16-17)10-15-14-8-6-4-3-5-7-9-14/h11-12,14-15H,2-10H2,1H3
InChIKeyBBHBQPJRZQNCHC-UHFFFAOYSA-N
XLogP3.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]oxan-4-amine
CID 62125824
N-[(1-ethylpyrazol-4-yl)methyl]-1-propylpiperidin-4-amine
CID 62127257
(1S)-1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 81393534
2-(chloromethyl)-N-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 106365342
N-[(1-ethylpyrazol-4-yl)methyl]-1-(6-ethylpyrimidin-4-yl)piperidin-4-amine
CID 71980330
N-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 65460455
N-[(1-heptylpyrazol-4-yl)methyl]cyclopropanamine
CID 55110496
1-cyclooctyl-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 80603195
[2-[(1-ethylpyrazol-4-yl)methylamino]cyclopentyl]methanol
CID 115655039
N-cycloheptyl-1-ethylpyrazol-4-amine
CID 43543541
N-[(1-propylpyrazol-4-yl)methyl]oxan-4-amine
CID 115632215
N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(1-ethylpyrazol-4-yl)methanamine;hydrochloride
CID 126966107

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]cyclooctanamine?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]cyclooctanamine (CID 62126333) is N-[(1-ethylpyrazol-4-yl)methyl]cyclooctanamine.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]cyclooctanamine?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]cyclooctanamine is CCn1cc(CNC2CCCCCCC2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]cyclooctanamine?
The InChIKey is BBHBQPJRZQNCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-2-17-12-13(11-16-17)10-15-14-8-6-4-3-5-7-9-14/h11-12,14-15H,2-10H2,1H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]cyclooctanamine?
N-[(1-ethylpyrazol-4-yl)methyl]cyclooctanamine has a molecular weight of 235.37 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]cyclooctanamine is sourced from PubChem (CID 62126333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).