4-ethoxy-N-[(3-methyltriazol-4-yl)methyl]butan-1-amine

C10H20N4O — CID 115682364

IUPAC4-ethoxy-N-[(3-methyltriazol-4-yl)methyl]butan-1-amine
SMILESCCOCCCCNCc1cnnn1C
InChIInChI=1S/C10H20N4O/c1-3-15-7-5-4-6-11-8-10-9-12-13-14(10)2/h9,11H,3-8H2,1-2H3
InChIKeyMDZVHDJXUGVYLV-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.72
Rot. Bonds8

About 4-ethoxy-N-[(3-methyltriazol-4-yl)methyl]butan-1-amine

4-ethoxy-N-[(3-methyltriazol-4-yl)methyl]butan-1-amine (PubChem CID 115682364) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 4-ethoxy-N-[(3-methyltriazol-4-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name4-ethoxy-N-[(3-methyltriazol-4-yl)methyl]butan-1-amine
PubChem CID115682364
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name4-ethoxy-N-[(3-methyltriazol-4-yl)methyl]butan-1-amine
SMILESCCOCCCCNCc1cnnn1C
InChIInChI=1S/C10H20N4O/c1-3-15-7-5-4-6-11-8-10-9-12-13-14(10)2/h9,11H,3-8H2,1-2H3
InChIKeyMDZVHDJXUGVYLV-UHFFFAOYSA-N
XLogP0.72
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methyltriazol-4-yl)methyl]pentan-1-amine
CID 115682072
N-[(3-methyltriazol-4-yl)methyl]decan-1-amine
CID 115690037
3-(furan-2-ylmethoxy)-N-[(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 115682204
N-[(3-methyltriazol-4-yl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 115682207
N-[(3-methyltriazol-4-yl)methyl]pent-4-yn-1-amine
CID 103739398
N-[(3-methyltriazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 115682264
2-but-3-enoxy-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115770560
3,3-dimethyl-N-[(3-methyltriazol-4-yl)methyl]butan-1-amine
CID 115682257
1-[(3-methyltriazol-4-yl)methylamino]pentan-3-ol
CID 115703082
methyl 3-[(3-methyltriazol-4-yl)methylamino]propanoate
CID 115978304
N-[(3-methyltriazol-4-yl)methyl]-2-pyrazol-1-ylethanamine
CID 115682458
3-ethoxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propan-1-amine
CID 122166315

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(3-methyltriazol-4-yl)methyl]butan-1-amine?
The IUPAC name of 4-ethoxy-N-[(3-methyltriazol-4-yl)methyl]butan-1-amine (CID 115682364) is 4-ethoxy-N-[(3-methyltriazol-4-yl)methyl]butan-1-amine.
What is the SMILES notation for 4-ethoxy-N-[(3-methyltriazol-4-yl)methyl]butan-1-amine?
The canonical SMILES for 4-ethoxy-N-[(3-methyltriazol-4-yl)methyl]butan-1-amine is CCOCCCCNCc1cnnn1C.
What is the InChIKey of 4-ethoxy-N-[(3-methyltriazol-4-yl)methyl]butan-1-amine?
The InChIKey is MDZVHDJXUGVYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-3-15-7-5-4-6-11-8-10-9-12-13-14(10)2/h9,11H,3-8H2,1-2H3.
What are the key properties of 4-ethoxy-N-[(3-methyltriazol-4-yl)methyl]butan-1-amine?
4-ethoxy-N-[(3-methyltriazol-4-yl)methyl]butan-1-amine has a molecular weight of 212.30 g/mol, XLogP of 0.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(3-methyltriazol-4-yl)methyl]butan-1-amine is sourced from PubChem (CID 115682364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).