[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclooctyl]methanamine

C16H30N4 — CID 80602977

IUPAC[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclooctyl]methanamine
SMILESCC(C)Cn1ncnc1CC1(CN)CCCCCCC1
InChIInChI=1S/C16H30N4/c1-14(2)11-20-15(18-13-19-20)10-16(12-17)8-6-4-3-5-7-9-16/h13-14H,3-12,17H2,1-2H3
InChIKeyJALRIJXOFZKEAO-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.17
Rot. Bonds5

About [1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclooctyl]methanamine

[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclooctyl]methanamine (PubChem CID 80602977) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is [1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclooctyl]methanamine.

Molecular Properties

Compound Name[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclooctyl]methanamine
PubChem CID80602977
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclooctyl]methanamine
SMILESCC(C)Cn1ncnc1CC1(CN)CCCCCCC1
InChIInChI=1S/C16H30N4/c1-14(2)11-20-15(18-13-19-20)10-16(12-17)8-6-4-3-5-7-9-16/h13-14H,3-12,17H2,1-2H3
InChIKeyJALRIJXOFZKEAO-UHFFFAOYSA-N
XLogP3.17
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclooctyl]methanamine with MolForge

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Related Compounds

1-[1-(aminomethyl)cycloheptyl]-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanone
CID 116602254
1-[1-(2-methylpropyl)cyclopentyl]-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 104999937
2,2-dimethyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclopentan-1-ol
CID 79862641
2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-2-propylazepane
CID 79117211
1-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclopropyl]ethanone
CID 106796910
1-(1-methoxycyclopentyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 104610733
[2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutyl]methanamine
CID 81011154
[3-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-yl]methanamine
CID 114082090
N,N-dimethyl-1-[[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]methyl]cyclobutan-1-amine
CID 105416460
N-methyl-1-(1-methylcyclopentyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 105000139
1-[[methyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]methyl]cyclopentan-1-ol
CID 115970110
3,3-dimethyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-2-oxocyclohexane-1-carbonitrile
CID 79865366

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclooctyl]methanamine?
The IUPAC name of [1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclooctyl]methanamine (CID 80602977) is [1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclooctyl]methanamine.
What is the SMILES notation for [1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclooctyl]methanamine?
The canonical SMILES for [1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclooctyl]methanamine is CC(C)Cn1ncnc1CC1(CN)CCCCCCC1.
What is the InChIKey of [1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclooctyl]methanamine?
The InChIKey is JALRIJXOFZKEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-14(2)11-20-15(18-13-19-20)10-16(12-17)8-6-4-3-5-7-9-16/h13-14H,3-12,17H2,1-2H3.
What are the key properties of [1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclooctyl]methanamine?
[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclooctyl]methanamine has a molecular weight of 278.44 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclooctyl]methanamine is sourced from PubChem (CID 80602977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).