N-ethyl-6-[1-(2-methylpropyl)triazol-4-yl]hexan-1-amine

C14H28N4 — CID 155740464

IUPACN-ethyl-6-[1-(2-methylpropyl)triazol-4-yl]hexan-1-amine
SMILESCCNCCCCCCc1cn(CC(C)C)nn1
InChIInChI=1S/C14H28N4/c1-4-15-10-8-6-5-7-9-14-12-18(17-16-14)11-13(2)3/h12-13,15H,4-11H2,1-3H3
InChIKeyMCUURTOZCVXAOA-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.65
Rot. Bonds10

About N-ethyl-6-[1-(2-methylpropyl)triazol-4-yl]hexan-1-amine

N-ethyl-6-[1-(2-methylpropyl)triazol-4-yl]hexan-1-amine (PubChem CID 155740464) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is N-ethyl-6-[1-(2-methylpropyl)triazol-4-yl]hexan-1-amine.

Molecular Properties

Compound NameN-ethyl-6-[1-(2-methylpropyl)triazol-4-yl]hexan-1-amine
PubChem CID155740464
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC NameN-ethyl-6-[1-(2-methylpropyl)triazol-4-yl]hexan-1-amine
SMILESCCNCCCCCCc1cn(CC(C)C)nn1
InChIInChI=1S/C14H28N4/c1-4-15-10-8-6-5-7-9-14-12-18(17-16-14)11-13(2)3/h12-13,15H,4-11H2,1-3H3
InChIKeyMCUURTOZCVXAOA-UHFFFAOYSA-N
XLogP2.65
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[1-(2-methylpropyl)triazol-4-yl]hexan-1-amine?
The IUPAC name of N-ethyl-6-[1-(2-methylpropyl)triazol-4-yl]hexan-1-amine (CID 155740464) is N-ethyl-6-[1-(2-methylpropyl)triazol-4-yl]hexan-1-amine.
What is the SMILES notation for N-ethyl-6-[1-(2-methylpropyl)triazol-4-yl]hexan-1-amine?
The canonical SMILES for N-ethyl-6-[1-(2-methylpropyl)triazol-4-yl]hexan-1-amine is CCNCCCCCCc1cn(CC(C)C)nn1.
What is the InChIKey of N-ethyl-6-[1-(2-methylpropyl)triazol-4-yl]hexan-1-amine?
The InChIKey is MCUURTOZCVXAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-4-15-10-8-6-5-7-9-14-12-18(17-16-14)11-13(2)3/h12-13,15H,4-11H2,1-3H3.
What are the key properties of N-ethyl-6-[1-(2-methylpropyl)triazol-4-yl]hexan-1-amine?
N-ethyl-6-[1-(2-methylpropyl)triazol-4-yl]hexan-1-amine has a molecular weight of 252.41 g/mol, XLogP of 2.65, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[1-(2-methylpropyl)triazol-4-yl]hexan-1-amine is sourced from PubChem (CID 155740464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).