N-methyl-N-[[1-(2,2,4-trimethylpentyl)triazol-4-yl]methyl]ethanamine

C14H28N4 — CID 171557191

IUPACN-methyl-N-[[1-(2,2,4-trimethylpentyl)triazol-4-yl]methyl]ethanamine
SMILESCCN(C)Cc1cn(CC(C)(C)CC(C)C)nn1
InChIInChI=1S/C14H28N4/c1-7-17(6)9-13-10-18(16-15-13)11-14(4,5)8-12(2)3/h10,12H,7-9,11H2,1-6H3
InChIKeyULZVDWRTJSILPE-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.80
Rot. Bonds7

About N-methyl-N-[[1-(2,2,4-trimethylpentyl)triazol-4-yl]methyl]ethanamine

N-methyl-N-[[1-(2,2,4-trimethylpentyl)triazol-4-yl]methyl]ethanamine (PubChem CID 171557191) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is N-methyl-N-[[1-(2,2,4-trimethylpentyl)triazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-N-[[1-(2,2,4-trimethylpentyl)triazol-4-yl]methyl]ethanamine
PubChem CID171557191
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC NameN-methyl-N-[[1-(2,2,4-trimethylpentyl)triazol-4-yl]methyl]ethanamine
SMILESCCN(C)Cc1cn(CC(C)(C)CC(C)C)nn1
InChIInChI=1S/C14H28N4/c1-7-17(6)9-13-10-18(16-15-13)11-14(4,5)8-12(2)3/h10,12H,7-9,11H2,1-6H3
InChIKeyULZVDWRTJSILPE-UHFFFAOYSA-N
XLogP2.80
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;ethanol;hydrogen peroxide;4-(methoxymethyl)-1-(2,2,4-trimethylpentyl)triazole
CID 167448164
N-methyl-N-[[1-[2,2,4-trimethyl-4-(2-methylpropoxy)hexyl]triazol-4-yl]methyl]propan-2-amine
CID 178008517
3,3-dimethyl-5-[methyl-[[1-(2-methylpropyl)triazol-4-yl]methyl]amino]pentan-2-one
CID 170303022
N,2-dimethyl-N-[[1-(2-propan-2-yloxyethyl)triazol-4-yl]methyl]propan-1-amine
CID 155599524
4-ethyl-1-(2-methylpropyl)triazole
CID 89281755
1-[4-(hydroxymethyl)triazol-1-yl]-2,3-dimethylbutan-2-ol
CID 114496914
1-(2,2-dimethylpentyl)-4-(2-methylpentan-2-yloxymethyl)triazole
CID 123155360
4-(2,4-dimethylpentan-2-yl)-1-ethyltriazole
CID 167175211
2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-methylacetamide
CID 62053781
1-(2,2-dimethylpropyl)-4-(ethoxymethyl)triazole
CID 137417176
2-[4-[(dimethylamino)methyl]triazol-1-yl]-N,N-bis[2-[4-[(dimethylamino)methyl]triazol-1-yl]ethyl]ethanamine
CID 139251714
4-(2-methylpropyl)-1-propyltriazole
CID 89029688

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-(2,2,4-trimethylpentyl)triazol-4-yl]methyl]ethanamine?
The IUPAC name of N-methyl-N-[[1-(2,2,4-trimethylpentyl)triazol-4-yl]methyl]ethanamine (CID 171557191) is N-methyl-N-[[1-(2,2,4-trimethylpentyl)triazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-methyl-N-[[1-(2,2,4-trimethylpentyl)triazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-methyl-N-[[1-(2,2,4-trimethylpentyl)triazol-4-yl]methyl]ethanamine is CCN(C)Cc1cn(CC(C)(C)CC(C)C)nn1.
What is the InChIKey of N-methyl-N-[[1-(2,2,4-trimethylpentyl)triazol-4-yl]methyl]ethanamine?
The InChIKey is ULZVDWRTJSILPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-7-17(6)9-13-10-18(16-15-13)11-14(4,5)8-12(2)3/h10,12H,7-9,11H2,1-6H3.
What are the key properties of N-methyl-N-[[1-(2,2,4-trimethylpentyl)triazol-4-yl]methyl]ethanamine?
N-methyl-N-[[1-(2,2,4-trimethylpentyl)triazol-4-yl]methyl]ethanamine has a molecular weight of 252.41 g/mol, XLogP of 2.80, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-(2,2,4-trimethylpentyl)triazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 171557191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).