N-[[1-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine

C15H29N5O — CID 63705832

IUPACN-[[1-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(CCN(C)CC2CCOCC2)nn1
InChIInChI=1S/C15H29N5O/c1-3-6-16-11-15-13-20(18-17-15)8-7-19(2)12-14-4-9-21-10-5-14/h13-14,16H,3-12H2,1-2H3
InChIKeyREDIBXYBZJSIDH-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.14
Rot. Bonds9

About N-[[1-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine

N-[[1-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine (PubChem CID 63705832) has the molecular formula C15H29N5O and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[[1-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine
PubChem CID63705832
Molecular FormulaC15H29N5O
Molecular Weight295.43 g/mol
Exact Mass295.24
IUPAC NameN-[[1-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(CCN(C)CC2CCOCC2)nn1
InChIInChI=1S/C15H29N5O/c1-3-6-16-11-15-13-20(18-17-15)8-7-19(2)12-14-4-9-21-10-5-14/h13-14,16H,3-12H2,1-2H3
InChIKeyREDIBXYBZJSIDH-UHFFFAOYSA-N
XLogP1.14
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[2-[4-(propylaminomethyl)triazol-1-yl]ethyl]pentan-1-amine
CID 55074649
N-[[1-[2-[cyclopentylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine
CID 63655308
N-[[1-[2-[cyclobutylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 62855866
N-[[1-[2-[ethyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62429644
1-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]triazole-4-carboxylic acid
CID 63711885
N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]ethanamine
CID 66192330
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methylpropan-1-amine
CID 62417936
N-[[6-[[methyl(oxan-4-ylmethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106906637
N-[[1-[[(3R)-oxolan-3-yl]methyl]triazol-4-yl]methyl]butan-1-amine
CID 125456676
N-[[1-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62428469
2-methoxy-N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]ethanamine
CID 66205617
N-[(1-pentyltriazol-4-yl)methyl]propan-1-amine
CID 66194122

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine (CID 63705832) is N-[[1-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine is CCCNCc1cn(CCN(C)CC2CCOCC2)nn1.
What is the InChIKey of N-[[1-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine?
The InChIKey is REDIBXYBZJSIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O/c1-3-6-16-11-15-13-20(18-17-15)8-7-19(2)12-14-4-9-21-10-5-14/h13-14,16H,3-12H2,1-2H3.
What are the key properties of N-[[1-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine?
N-[[1-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine has a molecular weight of 295.43 g/mol, XLogP of 1.14, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 63705832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).