5-ethoxy-N-methyl-1-(1-methyltriazol-4-yl)pentan-2-amine

C11H22N4O — CID 107063863

IUPAC5-ethoxy-N-methyl-1-(1-methyltriazol-4-yl)pentan-2-amine
SMILESCCOCCCC(Cc1cn(C)nn1)NC
InChIInChI=1S/C11H22N4O/c1-4-16-7-5-6-10(12-2)8-11-9-15(3)14-13-11/h9-10,12H,4-8H2,1-3H3
InChIKeyWGAOZPCMSCBERU-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.76
Rot. Bonds8

About 5-ethoxy-N-methyl-1-(1-methyltriazol-4-yl)pentan-2-amine

5-ethoxy-N-methyl-1-(1-methyltriazol-4-yl)pentan-2-amine (PubChem CID 107063863) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 5-ethoxy-N-methyl-1-(1-methyltriazol-4-yl)pentan-2-amine.

Molecular Properties

Compound Name5-ethoxy-N-methyl-1-(1-methyltriazol-4-yl)pentan-2-amine
PubChem CID107063863
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name5-ethoxy-N-methyl-1-(1-methyltriazol-4-yl)pentan-2-amine
SMILESCCOCCCC(Cc1cn(C)nn1)NC
InChIInChI=1S/C11H22N4O/c1-4-16-7-5-6-10(12-2)8-11-9-15(3)14-13-11/h9-10,12H,4-8H2,1-3H3
InChIKeyWGAOZPCMSCBERU-UHFFFAOYSA-N
XLogP0.76
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.76
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-methyl-1-(1-methyltriazol-4-yl)-3-propoxypropan-2-amine
CID 107048866
4-(2,2-difluoroethoxy)-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine
CID 107051436
5-methoxy-N-methyl-1-(1-methyltriazol-4-yl)hexan-2-amine
CID 107064246
4-(4-methoxyphenyl)-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine
CID 107063943
N-methyl-1-(1-methyltriazol-4-yl)-3-propan-2-yloxypropan-2-amine
CID 107064582
[1-(1-methyltriazol-4-yl)-4-propoxybutan-2-yl]hydrazine
CID 107066668
4,4,4-trifluoro-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine
CID 107048753
5-ethoxy-N-methyl-1-phenylpentan-2-amine
CID 105084642
4-(2-methoxyethoxy)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine
CID 107051391
1-(2-methoxyphenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107048713
[1-(1-methyltriazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 107066481
1-(2-bromophenyl)-5-ethoxy-N-methylpentan-2-amine
CID 105087467

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N-methyl-1-(1-methyltriazol-4-yl)pentan-2-amine?
The IUPAC name of 5-ethoxy-N-methyl-1-(1-methyltriazol-4-yl)pentan-2-amine (CID 107063863) is 5-ethoxy-N-methyl-1-(1-methyltriazol-4-yl)pentan-2-amine.
What is the SMILES notation for 5-ethoxy-N-methyl-1-(1-methyltriazol-4-yl)pentan-2-amine?
The canonical SMILES for 5-ethoxy-N-methyl-1-(1-methyltriazol-4-yl)pentan-2-amine is CCOCCCC(Cc1cn(C)nn1)NC.
What is the InChIKey of 5-ethoxy-N-methyl-1-(1-methyltriazol-4-yl)pentan-2-amine?
The InChIKey is WGAOZPCMSCBERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-4-16-7-5-6-10(12-2)8-11-9-15(3)14-13-11/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 5-ethoxy-N-methyl-1-(1-methyltriazol-4-yl)pentan-2-amine?
5-ethoxy-N-methyl-1-(1-methyltriazol-4-yl)pentan-2-amine has a molecular weight of 226.32 g/mol, XLogP of 0.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-methyl-1-(1-methyltriazol-4-yl)pentan-2-amine is sourced from PubChem (CID 107063863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).