2-[(1-tert-butyltriazol-4-yl)methylamino]-2-ethylbutan-1-ol

C13H26N4O — CID 103399061

IUPAC2-[(1-tert-butyltriazol-4-yl)methylamino]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)NCc1cn(C(C)(C)C)nn1
InChIInChI=1S/C13H26N4O/c1-6-13(7-2,10-18)14-8-11-9-17(16-15-11)12(3,4)5/h9,14,18H,6-8,10H2,1-5H3
InChIKeyNZLJMJNXOPRGKA-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.67
Rot. Bonds6

About 2-[(1-tert-butyltriazol-4-yl)methylamino]-2-ethylbutan-1-ol

2-[(1-tert-butyltriazol-4-yl)methylamino]-2-ethylbutan-1-ol (PubChem CID 103399061) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-[(1-tert-butyltriazol-4-yl)methylamino]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(1-tert-butyltriazol-4-yl)methylamino]-2-ethylbutan-1-ol
PubChem CID103399061
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name2-[(1-tert-butyltriazol-4-yl)methylamino]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)NCc1cn(C(C)(C)C)nn1
InChIInChI=1S/C13H26N4O/c1-6-13(7-2,10-18)14-8-11-9-17(16-15-11)12(3,4)5/h9,14,18H,6-8,10H2,1-5H3
InChIKeyNZLJMJNXOPRGKA-UHFFFAOYSA-N
XLogP1.67
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-tert-butyltriazol-4-yl)methyl]-2-methylpropan-2-amine
CID 103398443
N-[(1-tert-butyltriazol-4-yl)methyl]hydroxylamine
CID 103399314
2-[(1-tert-butyltriazol-4-yl)methylamino]-2-phenylpropan-1-ol
CID 103399455
N-[(1-tert-butyltriazol-4-yl)methyl]-2-cyclopropylpropan-2-amine
CID 103527388
3-ethyl-N-[(1-methyltriazol-4-yl)methyl]pentan-3-amine
CID 65039892
1-[(1-tert-butyltriazol-4-yl)methylamino]butan-2-ol
CID 103399417
N-[(1-tert-butyltriazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine
CID 161032604
N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 67952412
3-[(1-tert-butyltriazol-4-yl)methylamino]propane-1,2-diol
CID 103399191
2-[(1-tert-butyltriazol-4-yl)methylamino]-N-ethylacetamide
CID 103398707
1-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpentan-2-ol
CID 103527240
1-chloro-2-(chloromethyl)-N-[(1-methyltriazol-4-yl)methyl]butan-2-amine
CID 107867129

Frequently Asked Questions

What is the IUPAC name of 2-[(1-tert-butyltriazol-4-yl)methylamino]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(1-tert-butyltriazol-4-yl)methylamino]-2-ethylbutan-1-ol (CID 103399061) is 2-[(1-tert-butyltriazol-4-yl)methylamino]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(1-tert-butyltriazol-4-yl)methylamino]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(1-tert-butyltriazol-4-yl)methylamino]-2-ethylbutan-1-ol is CCC(CC)(CO)NCc1cn(C(C)(C)C)nn1.
What is the InChIKey of 2-[(1-tert-butyltriazol-4-yl)methylamino]-2-ethylbutan-1-ol?
The InChIKey is NZLJMJNXOPRGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-6-13(7-2,10-18)14-8-11-9-17(16-15-11)12(3,4)5/h9,14,18H,6-8,10H2,1-5H3.
What are the key properties of 2-[(1-tert-butyltriazol-4-yl)methylamino]-2-ethylbutan-1-ol?
2-[(1-tert-butyltriazol-4-yl)methylamino]-2-ethylbutan-1-ol has a molecular weight of 254.38 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-tert-butyltriazol-4-yl)methylamino]-2-ethylbutan-1-ol is sourced from PubChem (CID 103399061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).