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

C14H28N4 — CID 81017782

IUPAC4-(2-ethyl-1,2,4-triazol-3-yl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
SMILESCCn1ncnc1CC(C)C(C)CNCC(C)C
InChIInChI=1S/C14H28N4/c1-6-18-14(16-10-17-18)7-12(4)13(5)9-15-8-11(2)3/h10-13,15H,6-9H2,1-5H3
InChIKeyQNRDTOWAGYTXAJ-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.36
Rot. Bonds8

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

4-(2-ethyl-1,2,4-triazol-3-yl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 81017782) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 4-(2-ethyl-1,2,4-triazol-3-yl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-(2-ethyl-1,2,4-triazol-3-yl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
PubChem CID81017782
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name4-(2-ethyl-1,2,4-triazol-3-yl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
SMILESCCn1ncnc1CC(C)C(C)CNCC(C)C
InChIInChI=1S/C14H28N4/c1-6-18-14(16-10-17-18)7-12(4)13(5)9-15-8-11(2)3/h10-13,15H,6-9H2,1-5H3
InChIKeyQNRDTOWAGYTXAJ-UHFFFAOYSA-N
XLogP2.36
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 52.36
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
N-ethyl-2,3-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)butan-1-amine
CID 81015585
(2R)-1-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 94552952
N-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81027307
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 62696832
N-[[2-(4-methoxybutyl)-1,2,4-triazol-3-yl]methyl]-2-methylpropan-1-amine
CID 104649613
5-[2-(bromomethyl)-3,3-dimethylbutyl]-1-ethyl-1,2,4-triazole
CID 83141414
1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpent-4-en-2-amine
CID 116660609
1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylheptan-2-amine
CID 105002201
N-[[3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 114535116
3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-2-N,3-N,3-N-trimethylpentane-2,3-diamine
CID 79062167
3-ethoxy-3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpentan-2-amine
CID 116759933

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-1,2,4-triazol-3-yl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-(2-ethyl-1,2,4-triazol-3-yl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine (CID 81017782) is 4-(2-ethyl-1,2,4-triazol-3-yl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-(2-ethyl-1,2,4-triazol-3-yl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-(2-ethyl-1,2,4-triazol-3-yl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine is CCn1ncnc1CC(C)C(C)CNCC(C)C.
What is the InChIKey of 4-(2-ethyl-1,2,4-triazol-3-yl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is QNRDTOWAGYTXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-6-18-14(16-10-17-18)7-12(4)13(5)9-15-8-11(2)3/h10-13,15H,6-9H2,1-5H3.
What are the key properties of 4-(2-ethyl-1,2,4-triazol-3-yl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
4-(2-ethyl-1,2,4-triazol-3-yl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 252.41 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-1,2,4-triazol-3-yl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 81017782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).