3,3-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-1-amine

C11H22N4 — CID 62119018

IUPAC3,3-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-1-amine
SMILESCC(NCCC(C)(C)C)c1nncn1C
InChIInChI=1S/C11H22N4/c1-9(10-14-13-8-15(10)5)12-7-6-11(2,3)4/h8-9,12H,6-7H2,1-5H3
InChIKeySXILGPQNEPTJIJ-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.90
Rot. Bonds4

About 3,3-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-1-amine

3,3-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-1-amine (PubChem CID 62119018) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 3,3-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-1-amine
PubChem CID62119018
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name3,3-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-1-amine
SMILESCC(NCCC(C)(C)C)c1nncn1C
InChIInChI=1S/C11H22N4/c1-9(10-14-13-8-15(10)5)12-7-6-11(2,3)4/h8-9,12H,6-7H2,1-5H3
InChIKeySXILGPQNEPTJIJ-UHFFFAOYSA-N
XLogP1.90
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-tert-butyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethane-1,2-diamine
CID 107445034
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol
CID 55211655
3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanenitrile
CID 62117721
2-ethyl-2-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]butan-1-ol
CID 81412437
1-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 62700669
N-[(4-ethylphenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 43703003
2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine
CID 43783872
N-methyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
CID 62118292
1-(4-methyl-1,2,4-triazol-3-yl)-N-(2-pyridin-2-ylethyl)ethanamine
CID 62118649
2-(ethylamino)-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 62833078
1-(4-methyl-1,2,4-triazol-3-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 43703063
N,N-diethyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
CID 62119394

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-1-amine?
The IUPAC name of 3,3-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-1-amine (CID 62119018) is 3,3-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-1-amine is CC(NCCC(C)(C)C)c1nncn1C.
What is the InChIKey of 3,3-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-1-amine?
The InChIKey is SXILGPQNEPTJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-9(10-14-13-8-15(10)5)12-7-6-11(2,3)4/h8-9,12H,6-7H2,1-5H3.
What are the key properties of 3,3-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-1-amine?
3,3-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-1-amine is sourced from PubChem (CID 62119018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).