N-[[1-(1-oxaspiro[5.5]undecan-4-yl)triazol-4-yl]methyl]propan-1-amine

C16H28N4O — CID 79909028

IUPACN-[[1-(1-oxaspiro[5.5]undecan-4-yl)triazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(C2CCOC3(CCCCC3)C2)nn1
InChIInChI=1S/C16H28N4O/c1-2-9-17-12-14-13-20(19-18-14)15-6-10-21-16(11-15)7-4-3-5-8-16/h13,15,17H,2-12H2,1H3
InChIKeyJSGRZCFPDKFURW-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.83
Rot. Bonds5

About N-[[1-(1-oxaspiro[5.5]undecan-4-yl)triazol-4-yl]methyl]propan-1-amine

N-[[1-(1-oxaspiro[5.5]undecan-4-yl)triazol-4-yl]methyl]propan-1-amine (PubChem CID 79909028) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[[1-(1-oxaspiro[5.5]undecan-4-yl)triazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(1-oxaspiro[5.5]undecan-4-yl)triazol-4-yl]methyl]propan-1-amine
PubChem CID79909028
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-[[1-(1-oxaspiro[5.5]undecan-4-yl)triazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(C2CCOC3(CCCCC3)C2)nn1
InChIInChI=1S/C16H28N4O/c1-2-9-17-12-14-13-20(19-18-14)15-6-10-21-16(11-15)7-4-3-5-8-16/h13,15,17H,2-12H2,1H3
InChIKeyJSGRZCFPDKFURW-UHFFFAOYSA-N
XLogP2.83
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[1-(1-oxaspiro[5.5]undecan-4-yl)triazol-4-yl]methyl]propan-1-amine 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-(1-oxaspiro[5.5]undecan-4-yl)triazol-4-yl]methyl]ethanamine
CID 79909032
N-[[1-(6-oxaspiro[4.5]decan-9-yl)triazol-4-yl]methyl]ethanamine
CID 79909835
2-amino-N-[[1-(5-oxaspiro[3.5]nonan-8-yl)triazol-4-yl]methyl]acetamide
CID 114778703
N-[[1-(1-oxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]methyl]ethanamine
CID 79919453
4-(diethoxymethyl)-1-(5-oxaspiro[3.5]nonan-8-yl)triazole
CID 79909027
2-[1-(6-oxaspiro[4.5]decan-9-yl)triazol-4-yl]propan-2-amine
CID 79919786
1-(1-oxaspiro[5.5]undecan-4-yl)triazole-4-carboxylic acid
CID 79919425
N-[1-[1-(5-oxaspiro[3.5]nonan-8-yl)pyrazol-4-yl]ethyl]propan-1-amine
CID 79919225
3-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)triazol-4-yl]propan-1-amine
CID 106220792
4-[4-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)triazol-1-yl]-N-propylpiperidine-1-carboxamide
CID 31192314
3-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)triazol-4-yl]propanoic acid
CID 107460768
N-[[1-(5-oxaspiro[3.5]nonan-8-yl)pyrazol-4-yl]methyl]propan-2-amine
CID 79920806

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-oxaspiro[5.5]undecan-4-yl)triazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(1-oxaspiro[5.5]undecan-4-yl)triazol-4-yl]methyl]propan-1-amine (CID 79909028) is N-[[1-(1-oxaspiro[5.5]undecan-4-yl)triazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(1-oxaspiro[5.5]undecan-4-yl)triazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(1-oxaspiro[5.5]undecan-4-yl)triazol-4-yl]methyl]propan-1-amine is CCCNCc1cn(C2CCOC3(CCCCC3)C2)nn1.
What is the InChIKey of N-[[1-(1-oxaspiro[5.5]undecan-4-yl)triazol-4-yl]methyl]propan-1-amine?
The InChIKey is JSGRZCFPDKFURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-2-9-17-12-14-13-20(19-18-14)15-6-10-21-16(11-15)7-4-3-5-8-16/h13,15,17H,2-12H2,1H3.
What are the key properties of N-[[1-(1-oxaspiro[5.5]undecan-4-yl)triazol-4-yl]methyl]propan-1-amine?
N-[[1-(1-oxaspiro[5.5]undecan-4-yl)triazol-4-yl]methyl]propan-1-amine has a molecular weight of 292.43 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-oxaspiro[5.5]undecan-4-yl)triazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 79909028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).