N-methyl-N-[[1-[2,2,4-trimethyl-4-(2-methylpropoxy)hexyl]triazol-4-yl]methyl]propan-2-amine

C20H40N4O — CID 178008517

IUPACN-methyl-N-[[1-[2,2,4-trimethyl-4-(2-methylpropoxy)hexyl]triazol-4-yl]methyl]propan-2-amine
SMILESCCC(C)(CC(C)(C)Cn1cc(CN(C)C(C)C)nn1)OCC(C)C
InChIInChI=1S/C20H40N4O/c1-10-20(8,25-13-16(2)3)14-19(6,7)15-24-12-18(21-22-24)11-23(9)17(4)5/h12,16-17H,10-11,13-15H2,1-9H3
InChIKeyRORCRIKIJDLYFT-UHFFFAOYSA-N
MW352.57 g/mol
LogP4.38
Rot. Bonds11

About N-methyl-N-[[1-[2,2,4-trimethyl-4-(2-methylpropoxy)hexyl]triazol-4-yl]methyl]propan-2-amine

N-methyl-N-[[1-[2,2,4-trimethyl-4-(2-methylpropoxy)hexyl]triazol-4-yl]methyl]propan-2-amine (PubChem CID 178008517) has the molecular formula C20H40N4O and a molecular weight of 352.57 g/mol. Its IUPAC name is N-methyl-N-[[1-[2,2,4-trimethyl-4-(2-methylpropoxy)hexyl]triazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[[1-[2,2,4-trimethyl-4-(2-methylpropoxy)hexyl]triazol-4-yl]methyl]propan-2-amine
PubChem CID178008517
Molecular FormulaC20H40N4O
Molecular Weight352.57 g/mol
Exact Mass352.32
IUPAC NameN-methyl-N-[[1-[2,2,4-trimethyl-4-(2-methylpropoxy)hexyl]triazol-4-yl]methyl]propan-2-amine
SMILESCCC(C)(CC(C)(C)Cn1cc(CN(C)C(C)C)nn1)OCC(C)C
InChIInChI=1S/C20H40N4O/c1-10-20(8,25-13-16(2)3)14-19(6,7)15-24-12-18(21-22-24)11-23(9)17(4)5/h12,16-17H,10-11,13-15H2,1-9H3
InChIKeyRORCRIKIJDLYFT-UHFFFAOYSA-N
XLogP4.38
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.57
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[[1-[2,2,4-trimethyl-4-(2-methylpropoxy)hexyl]triazol-4-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-methyl-N-[[1-(2,2,4-trimethylpentyl)triazol-4-yl]methyl]ethanamine
CID 171557191
ethane;ethanol;hydrogen peroxide;4-(methoxymethyl)-1-(2,2,4-trimethylpentyl)triazole
CID 167448164
1-(2,2-dimethylpentyl)-4-(2-methylpentan-2-yloxymethyl)triazole
CID 123155360
1-(2,2-dimethylpropyl)-4-(ethoxymethyl)triazole
CID 137417176
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,3,3-trimethylbutan-2-amine
CID 62426850
N,2-dimethyl-N-[[1-(2-propan-2-yloxyethyl)triazol-4-yl]methyl]propan-1-amine
CID 155599524
2-ethyl-4-[(4-ethyltriazol-1-yl)methyl]-2,4-dimethylhexan-1-ol
CID 166838069
4-ethyl-1-(2-methylpropyl)triazole
CID 89281755
2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]propan-1-ol
CID 103880987
1-[4-(hydroxymethyl)triazol-1-yl]-2,3-dimethylbutan-2-ol
CID 114496914
3,3-dimethyl-5-[methyl-[[1-(2-methylpropyl)triazol-4-yl]methyl]amino]pentan-2-one
CID 170303022
ethane;1-[1-[2-methyl-2-(3-methylbutoxy)propyl]triazol-4-yl]pentan-3-one;2-methylpropan-1-ol
CID 167447993

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-[2,2,4-trimethyl-4-(2-methylpropoxy)hexyl]triazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-methyl-N-[[1-[2,2,4-trimethyl-4-(2-methylpropoxy)hexyl]triazol-4-yl]methyl]propan-2-amine (CID 178008517) is N-methyl-N-[[1-[2,2,4-trimethyl-4-(2-methylpropoxy)hexyl]triazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-methyl-N-[[1-[2,2,4-trimethyl-4-(2-methylpropoxy)hexyl]triazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-methyl-N-[[1-[2,2,4-trimethyl-4-(2-methylpropoxy)hexyl]triazol-4-yl]methyl]propan-2-amine is CCC(C)(CC(C)(C)Cn1cc(CN(C)C(C)C)nn1)OCC(C)C.
What is the InChIKey of N-methyl-N-[[1-[2,2,4-trimethyl-4-(2-methylpropoxy)hexyl]triazol-4-yl]methyl]propan-2-amine?
The InChIKey is RORCRIKIJDLYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N4O/c1-10-20(8,25-13-16(2)3)14-19(6,7)15-24-12-18(21-22-24)11-23(9)17(4)5/h12,16-17H,10-11,13-15H2,1-9H3.
What are the key properties of N-methyl-N-[[1-[2,2,4-trimethyl-4-(2-methylpropoxy)hexyl]triazol-4-yl]methyl]propan-2-amine?
N-methyl-N-[[1-[2,2,4-trimethyl-4-(2-methylpropoxy)hexyl]triazol-4-yl]methyl]propan-2-amine has a molecular weight of 352.57 g/mol, XLogP of 4.38, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-[2,2,4-trimethyl-4-(2-methylpropoxy)hexyl]triazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 178008517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).