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

C11H22N4 — CID 81015585

IUPACN-ethyl-2,3-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)butan-1-amine
SMILESCCNCC(C)C(C)Cc1ncnn1C
InChIInChI=1S/C11H22N4/c1-5-12-7-10(3)9(2)6-11-13-8-14-15(11)4/h8-10,12H,5-7H2,1-4H3
InChIKeyLYHURPFHGPYCHJ-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.24
Rot. Bonds6

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

N-ethyl-2,3-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)butan-1-amine (PubChem CID 81015585) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is N-ethyl-2,3-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,3-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)butan-1-amine
PubChem CID81015585
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC NameN-ethyl-2,3-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)butan-1-amine
SMILESCCNCC(C)C(C)Cc1ncnn1C
InChIInChI=1S/C11H22N4/c1-5-12-7-10(3)9(2)6-11-13-8-14-15(11)4/h8-10,12H,5-7H2,1-4H3
InChIKeyLYHURPFHGPYCHJ-UHFFFAOYSA-N
XLogP1.24
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethyl-N-(2-methylpropyl)-4-(2-propyl-1,2,4-triazol-3-yl)butan-1-amine
CID 81017156
4-(2-ethyl-1,2,4-triazol-3-yl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81017782
3-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102905256
N,2-dimethyl-3-(2-methyl-1,2,4-triazol-3-yl)-1-phenylpropan-1-amine
CID 104845311
4-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 81015475
N-ethyl-2,3-dimethyl-5-(1-methylimidazol-2-yl)pentan-1-amine
CID 114532985
1-(2-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylhexan-2-amine
CID 79413166
5-[2-(bromomethyl)butyl]-1-methyl-1,2,4-triazole
CID 66043454
N,3,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 104997587
N-ethyl-2,3-dimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine
CID 82882880
ethane;5-ethyl-1-methyl-1,2,4-triazole
CID 164877506
N-ethyl-1-(5-ethylfuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997720

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)butan-1-amine?
The IUPAC name of N-ethyl-2,3-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)butan-1-amine (CID 81015585) is N-ethyl-2,3-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-2,3-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)butan-1-amine?
The canonical SMILES for N-ethyl-2,3-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)butan-1-amine is CCNCC(C)C(C)Cc1ncnn1C.
What is the InChIKey of N-ethyl-2,3-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)butan-1-amine?
The InChIKey is LYHURPFHGPYCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-5-12-7-10(3)9(2)6-11-13-8-14-15(11)4/h8-10,12H,5-7H2,1-4H3.
What are the key properties of N-ethyl-2,3-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)butan-1-amine?
N-ethyl-2,3-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)butan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)butan-1-amine is sourced from PubChem (CID 81015585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).