N-[[1-[2-[2-ethoxyethyl(ethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine

C15H31N5O — CID 63691433

IUPACN-[[1-[2-[2-ethoxyethyl(ethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCCOCCN(CC)CCn1cc(CNCC(C)C)nn1
InChIInChI=1S/C15H31N5O/c1-5-19(9-10-21-6-2)7-8-20-13-15(17-18-20)12-16-11-14(3)4/h13-14,16H,5-12H2,1-4H3
InChIKeyHTSRXXILSABDQQ-UHFFFAOYSA-N
MW297.45 g/mol
LogP1.38
Rot. Bonds12

About N-[[1-[2-[2-ethoxyethyl(ethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine

N-[[1-[2-[2-ethoxyethyl(ethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 63691433) has the molecular formula C15H31N5O and a molecular weight of 297.45 g/mol. Its IUPAC name is N-[[1-[2-[2-ethoxyethyl(ethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[2-[2-ethoxyethyl(ethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID63691433
Molecular FormulaC15H31N5O
Molecular Weight297.45 g/mol
Exact Mass297.25
IUPAC NameN-[[1-[2-[2-ethoxyethyl(ethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCCOCCN(CC)CCn1cc(CNCC(C)C)nn1
InChIInChI=1S/C15H31N5O/c1-5-19(9-10-21-6-2)7-8-20-13-15(17-18-20)12-16-11-14(3)4/h13-14,16H,5-12H2,1-4H3
InChIKeyHTSRXXILSABDQQ-UHFFFAOYSA-N
XLogP1.38
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 51.38
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-[ethyl(2-methoxyethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 62435948
N-methyl-N-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]ethyl]butan-2-amine
CID 62418960
2-methyl-N-[[1-[2-[methyl(2-propan-2-yloxyethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 81064369
N-[[1-[2-[2-(diethylamino)ethoxy]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62458984
2-methyl-N-[[1-[2-[2-(2-methylpropoxy)ethoxy]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 106449803
2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62457361
N-[[1-[2-(3-methoxypropoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 55073341
2-methyl-N-[[1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62427792
2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]-N,N-dipropylacetamide
CID 66193073
N-[[1-[2-[cyclobutylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 62855866
N-[[1-[2-(4,5-dimethylimidazol-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 62441592
N-[[1-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 62453031

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[2-ethoxyethyl(ethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[2-[2-ethoxyethyl(ethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine (CID 63691433) is N-[[1-[2-[2-ethoxyethyl(ethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[2-[2-ethoxyethyl(ethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[2-[2-ethoxyethyl(ethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine is CCOCCN(CC)CCn1cc(CNCC(C)C)nn1.
What is the InChIKey of N-[[1-[2-[2-ethoxyethyl(ethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is HTSRXXILSABDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N5O/c1-5-19(9-10-21-6-2)7-8-20-13-15(17-18-20)12-16-11-14(3)4/h13-14,16H,5-12H2,1-4H3.
What are the key properties of N-[[1-[2-[2-ethoxyethyl(ethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[1-[2-[2-ethoxyethyl(ethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 297.45 g/mol, XLogP of 1.38, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[2-ethoxyethyl(ethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63691433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).