N,2-dimethyl-4-[2-methyl-1-[4-(methylaminomethyl)triazol-1-yl]propan-2-yl]oxybutan-2-amine

C14H29N5O — CID 155215661

IUPACN,2-dimethyl-4-[2-methyl-1-[4-(methylaminomethyl)triazol-1-yl]propan-2-yl]oxybutan-2-amine
SMILESCNCc1cn(CC(C)(C)OCCC(C)(C)NC)nn1
InChIInChI=1S/C14H29N5O/c1-13(2,16-6)7-8-20-14(3,4)11-19-10-12(9-15-5)17-18-19/h10,15-16H,7-9,11H2,1-6H3
InChIKeyZAZOMESLGOWNIJ-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.18
Rot. Bonds9

About N,2-dimethyl-4-[2-methyl-1-[4-(methylaminomethyl)triazol-1-yl]propan-2-yl]oxybutan-2-amine

N,2-dimethyl-4-[2-methyl-1-[4-(methylaminomethyl)triazol-1-yl]propan-2-yl]oxybutan-2-amine (PubChem CID 155215661) has the molecular formula C14H29N5O and a molecular weight of 283.42 g/mol. Its IUPAC name is N,2-dimethyl-4-[2-methyl-1-[4-(methylaminomethyl)triazol-1-yl]propan-2-yl]oxybutan-2-amine.

Molecular Properties

Compound NameN,2-dimethyl-4-[2-methyl-1-[4-(methylaminomethyl)triazol-1-yl]propan-2-yl]oxybutan-2-amine
PubChem CID155215661
Molecular FormulaC14H29N5O
Molecular Weight283.42 g/mol
Exact Mass283.24
IUPAC NameN,2-dimethyl-4-[2-methyl-1-[4-(methylaminomethyl)triazol-1-yl]propan-2-yl]oxybutan-2-amine
SMILESCNCc1cn(CC(C)(C)OCCC(C)(C)NC)nn1
InChIInChI=1S/C14H29N5O/c1-13(2,16-6)7-8-20-14(3,4)11-19-10-12(9-15-5)17-18-19/h10,15-16H,7-9,11H2,1-6H3
InChIKeyZAZOMESLGOWNIJ-UHFFFAOYSA-N
XLogP1.18
TPSA64.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]ethanamine
CID 55073206
2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 55073252
N-methyl-1-[1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]triazol-4-yl]methanamine
CID 55077557
N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methanamine
CID 62444658
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62444843
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62444844
2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62445031
[1-(oxolan-3-yl)-1H-1,2,3-triazol-4-yl]methanamine
CID 63563641
N-[(1-methyltriazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63827469
N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]triazol-4-yl]methyl]ethanamine
CID 66192139
2-methyl-N-[[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 66192468
2-methoxy-N-[[1-(2,2,2-trifluoroethyl)triazol-4-yl]methyl]ethanamine
CID 66192481

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-[2-methyl-1-[4-(methylaminomethyl)triazol-1-yl]propan-2-yl]oxybutan-2-amine?
The IUPAC name of N,2-dimethyl-4-[2-methyl-1-[4-(methylaminomethyl)triazol-1-yl]propan-2-yl]oxybutan-2-amine (CID 155215661) is N,2-dimethyl-4-[2-methyl-1-[4-(methylaminomethyl)triazol-1-yl]propan-2-yl]oxybutan-2-amine.
What is the SMILES notation for N,2-dimethyl-4-[2-methyl-1-[4-(methylaminomethyl)triazol-1-yl]propan-2-yl]oxybutan-2-amine?
The canonical SMILES for N,2-dimethyl-4-[2-methyl-1-[4-(methylaminomethyl)triazol-1-yl]propan-2-yl]oxybutan-2-amine is CNCc1cn(CC(C)(C)OCCC(C)(C)NC)nn1.
What is the InChIKey of N,2-dimethyl-4-[2-methyl-1-[4-(methylaminomethyl)triazol-1-yl]propan-2-yl]oxybutan-2-amine?
The InChIKey is ZAZOMESLGOWNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N5O/c1-13(2,16-6)7-8-20-14(3,4)11-19-10-12(9-15-5)17-18-19/h10,15-16H,7-9,11H2,1-6H3.
What are the key properties of N,2-dimethyl-4-[2-methyl-1-[4-(methylaminomethyl)triazol-1-yl]propan-2-yl]oxybutan-2-amine?
N,2-dimethyl-4-[2-methyl-1-[4-(methylaminomethyl)triazol-1-yl]propan-2-yl]oxybutan-2-amine has a molecular weight of 283.42 g/mol, XLogP of 1.18, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-[2-methyl-1-[4-(methylaminomethyl)triazol-1-yl]propan-2-yl]oxybutan-2-amine is sourced from PubChem (CID 155215661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).