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

C14H29N5O — CID 62435948

IUPACN-[[1-[2-[ethyl(2-methoxyethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCCN(CCOC)CCn1cc(CNCC(C)C)nn1
InChIInChI=1S/C14H29N5O/c1-5-18(8-9-20-4)6-7-19-12-14(16-17-19)11-15-10-13(2)3/h12-13,15H,5-11H2,1-4H3
InChIKeyQLQJUMSHLHVGOK-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.99
Rot. Bonds11

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

N-[[1-[2-[ethyl(2-methoxyethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62435948) has the molecular formula C14H29N5O and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[[1-[2-[ethyl(2-methoxyethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[2-[ethyl(2-methoxyethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID62435948
Molecular FormulaC14H29N5O
Molecular Weight283.42 g/mol
Exact Mass283.24
IUPAC NameN-[[1-[2-[ethyl(2-methoxyethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCCN(CCOC)CCn1cc(CNCC(C)C)nn1
InChIInChI=1S/C14H29N5O/c1-5-18(8-9-20-4)6-7-19-12-14(16-17-19)11-15-10-13(2)3/h12-13,15H,5-11H2,1-4H3
InChIKeyQLQJUMSHLHVGOK-UHFFFAOYSA-N
XLogP0.99
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-[2-[ethyl(2-methoxyethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-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-[2-[2-ethoxyethyl(ethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 63691433
N-[[1-[2-(3-methoxypropoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 55073341
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
2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62457361
2-methyl-N-[[1-[2-[2-(2-methylpropoxy)ethoxy]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 106449803
2-methyl-N-[[1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62427792
N-[[1-[2-[2-(diethylamino)ethoxy]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62458984
1-[2-[ethyl(2-methoxyethyl)amino]ethyl]triazole-4-carboxylic acid
CID 61446251
N-[[1-[2-[cyclobutylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 62855866
methyl 2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetate
CID 115876973
N-[[1-[2-(4,5-dimethylimidazol-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 62441592

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[ethyl(2-methoxyethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[2-[ethyl(2-methoxyethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine (CID 62435948) is N-[[1-[2-[ethyl(2-methoxyethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[2-[ethyl(2-methoxyethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[2-[ethyl(2-methoxyethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine is CCN(CCOC)CCn1cc(CNCC(C)C)nn1.
What is the InChIKey of N-[[1-[2-[ethyl(2-methoxyethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is QLQJUMSHLHVGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N5O/c1-5-18(8-9-20-4)6-7-19-12-14(16-17-19)11-15-10-13(2)3/h12-13,15H,5-11H2,1-4H3.
What are the key properties of N-[[1-[2-[ethyl(2-methoxyethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[1-[2-[ethyl(2-methoxyethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 0.99, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[ethyl(2-methoxyethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62435948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).