N-[[1-(2-aminoethyl)triazol-4-yl]methyl]-2,2,3-trimethylbutan-1-amine

C12H25N5 — CID 114100578

IUPACN-[[1-(2-aminoethyl)triazol-4-yl]methyl]-2,2,3-trimethylbutan-1-amine
SMILESCC(C)C(C)(C)CNCc1cn(CCN)nn1
InChIInChI=1S/C12H25N5/c1-10(2)12(3,4)9-14-7-11-8-17(6-5-13)16-15-11/h8,10,14H,5-7,9,13H2,1-4H3
InChIKeyRTRTWXGYWGAIDO-UHFFFAOYSA-N
MW239.37 g/mol
LogP1.01
Rot. Bonds7

About N-[[1-(2-aminoethyl)triazol-4-yl]methyl]-2,2,3-trimethylbutan-1-amine

N-[[1-(2-aminoethyl)triazol-4-yl]methyl]-2,2,3-trimethylbutan-1-amine (PubChem CID 114100578) has the molecular formula C12H25N5 and a molecular weight of 239.37 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)triazol-4-yl]methyl]-2,2,3-trimethylbutan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)triazol-4-yl]methyl]-2,2,3-trimethylbutan-1-amine
PubChem CID114100578
Molecular FormulaC12H25N5
Molecular Weight239.37 g/mol
Exact Mass239.21
IUPAC NameN-[[1-(2-aminoethyl)triazol-4-yl]methyl]-2,2,3-trimethylbutan-1-amine
SMILESCC(C)C(C)(C)CNCc1cn(CCN)nn1
InChIInChI=1S/C12H25N5/c1-10(2)12(3,4)9-14-7-11-8-17(6-5-13)16-15-11/h8,10,14H,5-7,9,13H2,1-4H3
InChIKeyRTRTWXGYWGAIDO-UHFFFAOYSA-N
XLogP1.01
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2,2,3-trimethylbutylamino)methyl]triazol-1-yl]ethanol
CID 114099502
2-[4-[[[3,5-bis[[[1-(2-aminoethyl)triazol-4-yl]methylamino]methyl]-2,4,6-trimethylphenyl]methylamino]methyl]triazol-1-yl]ethanamine
CID 101168096
3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2,2-dimethylpropanamide
CID 114167058
2-[4-[[(5-ethylthiophen-2-yl)methylamino]methyl]triazol-1-yl]ethanamine
CID 106012253
2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62457361
3-[4-[(2-aminoethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268362
3-[4-[(2,3,3-trimethylbutylamino)methyl]triazol-1-yl]propan-1-ol
CID 83143100
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,3,3-trimethylbutan-2-amine
CID 62426850
2-[4-[(4-aminobutylamino)methyl]triazol-1-yl]ethanol
CID 66269810
[1-(2-aminoethyl)triazol-4-yl]methanol;hydrochloride
CID 86262352
N-[[1-(2-aminoethyl)triazol-4-yl]methyl]-5-methoxy-1-methylpyrazol-3-amine
CID 114256066
1-[1-(2-aminoethyl)triazol-4-yl]ethanamine
CID 114419716

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminoethyl)triazol-4-yl]methyl]-2,2,3-trimethylbutan-1-amine?
The IUPAC name of N-[[1-(2-aminoethyl)triazol-4-yl]methyl]-2,2,3-trimethylbutan-1-amine (CID 114100578) is N-[[1-(2-aminoethyl)triazol-4-yl]methyl]-2,2,3-trimethylbutan-1-amine.
What is the SMILES notation for N-[[1-(2-aminoethyl)triazol-4-yl]methyl]-2,2,3-trimethylbutan-1-amine?
The canonical SMILES for N-[[1-(2-aminoethyl)triazol-4-yl]methyl]-2,2,3-trimethylbutan-1-amine is CC(C)C(C)(C)CNCc1cn(CCN)nn1.
What is the InChIKey of N-[[1-(2-aminoethyl)triazol-4-yl]methyl]-2,2,3-trimethylbutan-1-amine?
The InChIKey is RTRTWXGYWGAIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5/c1-10(2)12(3,4)9-14-7-11-8-17(6-5-13)16-15-11/h8,10,14H,5-7,9,13H2,1-4H3.
What are the key properties of N-[[1-(2-aminoethyl)triazol-4-yl]methyl]-2,2,3-trimethylbutan-1-amine?
N-[[1-(2-aminoethyl)triazol-4-yl]methyl]-2,2,3-trimethylbutan-1-amine has a molecular weight of 239.37 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminoethyl)triazol-4-yl]methyl]-2,2,3-trimethylbutan-1-amine is sourced from PubChem (CID 114100578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).