[1-[(1-methyltriazol-4-yl)methyl]cyclooctyl]methanamine

C13H24N4 — CID 107057461

IUPAC[1-[(1-methyltriazol-4-yl)methyl]cyclooctyl]methanamine
SMILESCn1cc(CC2(CN)CCCCCCC2)nn1
InChIInChI=1S/C13H24N4/c1-17-10-12(15-16-17)9-13(11-14)7-5-3-2-4-6-8-13/h10H,2-9,11,14H2,1H3
InChIKeySTUUVEYCUDVADT-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.05
Rot. Bonds3

About [1-[(1-methyltriazol-4-yl)methyl]cyclooctyl]methanamine

[1-[(1-methyltriazol-4-yl)methyl]cyclooctyl]methanamine (PubChem CID 107057461) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is [1-[(1-methyltriazol-4-yl)methyl]cyclooctyl]methanamine.

Molecular Properties

Compound Name[1-[(1-methyltriazol-4-yl)methyl]cyclooctyl]methanamine
PubChem CID107057461
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name[1-[(1-methyltriazol-4-yl)methyl]cyclooctyl]methanamine
SMILESCn1cc(CC2(CN)CCCCCCC2)nn1
InChIInChI=1S/C13H24N4/c1-17-10-12(15-16-17)9-13(11-14)7-5-3-2-4-6-8-13/h10H,2-9,11,14H2,1H3
InChIKeySTUUVEYCUDVADT-UHFFFAOYSA-N
XLogP2.05
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[(1-methyltriazol-4-yl)methyl]cyclooctyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(1-methyltriazol-4-yl)methyl]-4-propan-2-ylcyclohexyl]methanamine
CID 107057422
1-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-ol
CID 107045687
1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-ol
CID 107045659
N-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]cyclobutyl]methanamine
CID 107053262
[1-[(1-methylpyrazol-3-yl)methyl]cyclooctyl]methanamine
CID 82870564
2-methyl-N-[[1-[(1-methyltriazol-4-yl)methyl]cyclobutyl]methyl]propan-1-amine
CID 107053273
[1-[(1-methylpyrazol-3-yl)methyl]cyclobutyl]methanamine
CID 82871669
[1-[(2-methyltriazol-4-yl)methyl]cyclopentyl]methanamine
CID 130592139
2-ethyl-1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine
CID 107046702
1-(1-aminocyclohexyl)-2-(1-methyltriazol-4-yl)ethanone
CID 107061763
1-[1-(aminomethyl)cyclopropyl]-2-(1-methyltriazol-4-yl)ethanone
CID 107062385
1-(1-methylcyclopentyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063793

Frequently Asked Questions

What is the IUPAC name of [1-[(1-methyltriazol-4-yl)methyl]cyclooctyl]methanamine?
The IUPAC name of [1-[(1-methyltriazol-4-yl)methyl]cyclooctyl]methanamine (CID 107057461) is [1-[(1-methyltriazol-4-yl)methyl]cyclooctyl]methanamine.
What is the SMILES notation for [1-[(1-methyltriazol-4-yl)methyl]cyclooctyl]methanamine?
The canonical SMILES for [1-[(1-methyltriazol-4-yl)methyl]cyclooctyl]methanamine is Cn1cc(CC2(CN)CCCCCCC2)nn1.
What is the InChIKey of [1-[(1-methyltriazol-4-yl)methyl]cyclooctyl]methanamine?
The InChIKey is STUUVEYCUDVADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-17-10-12(15-16-17)9-13(11-14)7-5-3-2-4-6-8-13/h10H,2-9,11,14H2,1H3.
What are the key properties of [1-[(1-methyltriazol-4-yl)methyl]cyclooctyl]methanamine?
[1-[(1-methyltriazol-4-yl)methyl]cyclooctyl]methanamine has a molecular weight of 236.36 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-methyltriazol-4-yl)methyl]cyclooctyl]methanamine is sourced from PubChem (CID 107057461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).