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

C15H29N5O — CID 62429644

IUPACN-[[1-[2-[ethyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(CCN(CC)CC2CCCO2)nn1
InChIInChI=1S/C15H29N5O/c1-3-7-16-11-14-12-20(18-17-14)9-8-19(4-2)13-15-6-5-10-21-15/h12,15-16H,3-11,13H2,1-2H3
InChIKeyRJISQRMTJMAJHE-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.28
Rot. Bonds10

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

N-[[1-[2-[ethyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine (PubChem CID 62429644) has the molecular formula C15H29N5O and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[[1-[2-[ethyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[2-[ethyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine
PubChem CID62429644
Molecular FormulaC15H29N5O
Molecular Weight295.43 g/mol
Exact Mass295.24
IUPAC NameN-[[1-[2-[ethyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(CCN(CC)CC2CCCO2)nn1
InChIInChI=1S/C15H29N5O/c1-3-7-16-11-14-12-20(18-17-14)9-8-19(4-2)13-15-6-5-10-21-15/h12,15-16H,3-11,13H2,1-2H3
InChIKeyRJISQRMTJMAJHE-UHFFFAOYSA-N
XLogP1.28
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.28
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-[[1-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 63705832
N-[[1-[2-[2-(diethylamino)ethoxy]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62458984
N-[[1-(oxan-2-ylmethyl)triazol-4-yl]methyl]ethanamine
CID 66194671
N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine
CID 106718975
N-methyl-N-(oxolan-2-ylmethyl)-6-(propylaminomethyl)pyridazin-3-amine
CID 62294783
N-[[(2R)-oxolan-2-yl]methyl]-N-[[1-(piperidin-4-ylmethyl)triazol-4-yl]methyl]ethanamine
CID 30869809
N-[[1-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]propan-1-amine
CID 106719035
N-methyl-N-[2-[4-(propylaminomethyl)triazol-1-yl]ethyl]pentan-1-amine
CID 55074649
N-methyl-1-[1-(oxolan-2-ylmethyl)triazol-4-yl]methanamine
CID 66214826
2-[4-[[3-(diethylamino)propylamino]methyl]triazol-1-yl]ethanol
CID 66268074
N-[[1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62433705
N-[(1-methyltriazol-4-yl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 55113602

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[ethyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[2-[ethyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine (CID 62429644) is N-[[1-[2-[ethyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[2-[ethyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[2-[ethyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine is CCCNCc1cn(CCN(CC)CC2CCCO2)nn1.
What is the InChIKey of N-[[1-[2-[ethyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine?
The InChIKey is RJISQRMTJMAJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O/c1-3-7-16-11-14-12-20(18-17-14)9-8-19(4-2)13-15-6-5-10-21-15/h12,15-16H,3-11,13H2,1-2H3.
What are the key properties of N-[[1-[2-[ethyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine?
N-[[1-[2-[ethyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine has a molecular weight of 295.43 g/mol, XLogP of 1.28, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[ethyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 62429644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).