3-[4-[(octan-2-ylamino)methyl]triazol-1-yl]propan-1-ol

C14H28N4O — CID 66268933

IUPAC3-[4-[(octan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
SMILESCCCCCCC(C)NCc1cn(CCCO)nn1
InChIInChI=1S/C14H28N4O/c1-3-4-5-6-8-13(2)15-11-14-12-18(17-16-14)9-7-10-19/h12-13,15,19H,3-11H2,1-2H3
InChIKeyGCBIBDFJXJKGMI-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.11
Rot. Bonds11

About 3-[4-[(octan-2-ylamino)methyl]triazol-1-yl]propan-1-ol

3-[4-[(octan-2-ylamino)methyl]triazol-1-yl]propan-1-ol (PubChem CID 66268933) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-[4-[(octan-2-ylamino)methyl]triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[(octan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
PubChem CID66268933
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name3-[4-[(octan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
SMILESCCCCCCC(C)NCc1cn(CCCO)nn1
InChIInChI=1S/C14H28N4O/c1-3-4-5-6-8-13(2)15-11-14-12-18(17-16-14)9-7-10-19/h12-13,15,19H,3-11H2,1-2H3
InChIKeyGCBIBDFJXJKGMI-UHFFFAOYSA-N
XLogP2.11
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[4-[(octan-2-ylamino)methyl]triazol-1-yl]propan-1-ol 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

2-[4-[(octan-2-ylamino)methyl]triazol-1-yl]ethanol
CID 66269808
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]propan-1-ol
CID 66269866
3-[4-[(4-methylpentan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
CID 66269304
3-[4-[[1-(diethylamino)propan-2-ylamino]methyl]triazol-1-yl]propan-1-ol
CID 66269515
3-[4-[(hexylamino)methyl]triazol-1-yl]propan-1-ol
CID 66270242
2-[4-[(5-methylhexan-2-ylamino)methyl]triazol-1-yl]ethanol
CID 66268833
3-[4-[(1-methoxypentan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
CID 66270878
[1-(4-methylundecyl)triazol-4-yl]methanol
CID 174977767
3-[4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
CID 66269880
3-[4-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]triazol-1-yl]propan-1-ol
CID 81405616
N-ethyl-2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylpropanamide
CID 103107020
3-[4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]triazol-1-yl]propan-1-ol
CID 81379401

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(octan-2-ylamino)methyl]triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[(octan-2-ylamino)methyl]triazol-1-yl]propan-1-ol (CID 66268933) is 3-[4-[(octan-2-ylamino)methyl]triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[(octan-2-ylamino)methyl]triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[(octan-2-ylamino)methyl]triazol-1-yl]propan-1-ol is CCCCCCC(C)NCc1cn(CCCO)nn1.
What is the InChIKey of 3-[4-[(octan-2-ylamino)methyl]triazol-1-yl]propan-1-ol?
The InChIKey is GCBIBDFJXJKGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-3-4-5-6-8-13(2)15-11-14-12-18(17-16-14)9-7-10-19/h12-13,15,19H,3-11H2,1-2H3.
What are the key properties of 3-[4-[(octan-2-ylamino)methyl]triazol-1-yl]propan-1-ol?
3-[4-[(octan-2-ylamino)methyl]triazol-1-yl]propan-1-ol has a molecular weight of 268.40 g/mol, XLogP of 2.11, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(octan-2-ylamino)methyl]triazol-1-yl]propan-1-ol is sourced from PubChem (CID 66268933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).