N-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]ethanamine

C14H25N3 — CID 80611535

IUPACN-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]ethanamine
SMILESCCNCc1cnc(C2CCCCCCC2)[nH]1
InChIInChI=1S/C14H25N3/c1-2-15-10-13-11-16-14(17-13)12-8-6-4-3-5-7-9-12/h11-12,15H,2-10H2,1H3,(H,16,17)
InChIKeyPTANINSIXSFEAM-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.35
Rot. Bonds4

About N-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]ethanamine

N-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]ethanamine (PubChem CID 80611535) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]ethanamine
PubChem CID80611535
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]ethanamine
SMILESCCNCc1cnc(C2CCCCCCC2)[nH]1
InChIInChI=1S/C14H25N3/c1-2-15-10-13-11-16-14(17-13)12-8-6-4-3-5-7-9-12/h11-12,15H,2-10H2,1H3,(H,16,17)
InChIKeyPTANINSIXSFEAM-UHFFFAOYSA-N
XLogP3.35
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]ethanamine
CID 64986014
N-[[2-(4,4-dimethylcyclohexyl)-1H-imidazol-5-yl]methyl]ethanamine
CID 65391075
N-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]propan-2-amine
CID 80611681
N-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]cyclopropanamine
CID 80611809
N-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]propan-2-amine
CID 64986065
2-[(2-cyclopropyl-1H-imidazol-5-yl)methylamino]ethanol
CID 139558340
N-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]cyclopropanamine
CID 64986067
(2-cyclopentyl-1H-imidazol-5-yl)methanamine
CID 63108808
1-[2-(4-ethylcyclohexyl)-1H-imidazol-5-yl]-N-methylmethanamine
CID 65391140
5-(1-adamantyloxymethyl)-2-cyclohexyl-1H-imidazole
CID 22500379
5-(azetidin-3-ylmethyl)-2-cyclopentyl-1H-imidazole
CID 105458203
N-[[2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 65405264

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]ethanamine (CID 80611535) is N-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]ethanamine is CCNCc1cnc(C2CCCCCCC2)[nH]1.
What is the InChIKey of N-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]ethanamine?
The InChIKey is PTANINSIXSFEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-2-15-10-13-11-16-14(17-13)12-8-6-4-3-5-7-9-12/h11-12,15H,2-10H2,1H3,(H,16,17).
What are the key properties of N-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]ethanamine?
N-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]ethanamine has a molecular weight of 235.37 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 80611535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).