N-(cyclooctylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine

C13H24N4 — CID 114207826

IUPACN-(cyclooctylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESCC(NCC1CCCCCCC1)c1ncn[nH]1
InChIInChI=1S/C13H24N4/c1-11(13-15-10-16-17-13)14-9-12-7-5-3-2-4-6-8-12/h10-12,14H,2-9H2,1H3,(H,15,16,17)
InChIKeyNMXDWNRSIFXHEJ-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.82
Rot. Bonds4

About N-(cyclooctylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine

N-(cyclooctylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine (PubChem CID 114207826) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-(cyclooctylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclooctylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
PubChem CID114207826
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-(cyclooctylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESCC(NCC1CCCCCCC1)c1ncn[nH]1
InChIInChI=1S/C13H24N4/c1-11(13-15-10-16-17-13)14-9-12-7-5-3-2-4-6-8-12/h10-12,14H,2-9H2,1H3,(H,15,16,17)
InChIKeyNMXDWNRSIFXHEJ-UHFFFAOYSA-N
XLogP2.82
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(cyclooctylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine 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

N-[(1-methylpiperidin-3-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 106281613
1-cyclohexyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide
CID 103885456
2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexan-1-amine
CID 106281859
[1-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]cyclohexyl]methanol
CID 106281531
1-(1H-benzimidazol-2-yl)-N-(cyclohexylmethyl)ethanamine
CID 60665119
4-propyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cycloheptan-1-amine
CID 106282309
N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43215868
N-(cyclohexylmethyl)-1-pyridin-2-ylethanamine
CID 21279072
N-(cyclopentylmethyl)-1-(1,3-thiazol-4-yl)ethanamine
CID 115879116
5-[1-(cyclohexylmethylamino)ethyl]pyridin-2-amine
CID 155167486
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiolane-2-carboxamide
CID 103725791
N-(cyclohexylmethyl)-1-(4-iodophenyl)ethanamine
CID 43775619

Frequently Asked Questions

What is the IUPAC name of N-(cyclooctylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The IUPAC name of N-(cyclooctylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine (CID 114207826) is N-(cyclooctylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine.
What is the SMILES notation for N-(cyclooctylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The canonical SMILES for N-(cyclooctylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine is CC(NCC1CCCCCCC1)c1ncn[nH]1.
What is the InChIKey of N-(cyclooctylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The InChIKey is NMXDWNRSIFXHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-11(13-15-10-16-17-13)14-9-12-7-5-3-2-4-6-8-12/h10-12,14H,2-9H2,1H3,(H,15,16,17).
What are the key properties of N-(cyclooctylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine?
N-(cyclooctylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine has a molecular weight of 236.36 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclooctylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine is sourced from PubChem (CID 114207826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).