N-ethyl-1-(3-ethyltriazol-4-yl)-2-methoxy-3,3-dimethylbutan-1-amine

C13H26N4O — CID 114213282

IUPACN-ethyl-1-(3-ethyltriazol-4-yl)-2-methoxy-3,3-dimethylbutan-1-amine
SMILESCCNC(c1cnnn1CC)C(OC)C(C)(C)C
InChIInChI=1S/C13H26N4O/c1-7-14-11(12(18-6)13(3,4)5)10-9-15-16-17(10)8-2/h9,11-12,14H,7-8H2,1-6H3
InChIKeyJPPRMGKUFDGYCW-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.01
Rot. Bonds6

About N-ethyl-1-(3-ethyltriazol-4-yl)-2-methoxy-3,3-dimethylbutan-1-amine

N-ethyl-1-(3-ethyltriazol-4-yl)-2-methoxy-3,3-dimethylbutan-1-amine (PubChem CID 114213282) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is N-ethyl-1-(3-ethyltriazol-4-yl)-2-methoxy-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-ethyltriazol-4-yl)-2-methoxy-3,3-dimethylbutan-1-amine
PubChem CID114213282
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC NameN-ethyl-1-(3-ethyltriazol-4-yl)-2-methoxy-3,3-dimethylbutan-1-amine
SMILESCCNC(c1cnnn1CC)C(OC)C(C)(C)C
InChIInChI=1S/C13H26N4O/c1-7-14-11(12(18-6)13(3,4)5)10-9-15-16-17(10)8-2/h9,11-12,14H,7-8H2,1-6H3
InChIKeyJPPRMGKUFDGYCW-UHFFFAOYSA-N
XLogP2.01
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-ethyltriazol-4-yl)-2-methoxy-3,3-dimethylbutan-1-amine?
The IUPAC name of N-ethyl-1-(3-ethyltriazol-4-yl)-2-methoxy-3,3-dimethylbutan-1-amine (CID 114213282) is N-ethyl-1-(3-ethyltriazol-4-yl)-2-methoxy-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-ethyl-1-(3-ethyltriazol-4-yl)-2-methoxy-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-ethyl-1-(3-ethyltriazol-4-yl)-2-methoxy-3,3-dimethylbutan-1-amine is CCNC(c1cnnn1CC)C(OC)C(C)(C)C.
What is the InChIKey of N-ethyl-1-(3-ethyltriazol-4-yl)-2-methoxy-3,3-dimethylbutan-1-amine?
The InChIKey is JPPRMGKUFDGYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-7-14-11(12(18-6)13(3,4)5)10-9-15-16-17(10)8-2/h9,11-12,14H,7-8H2,1-6H3.
What are the key properties of N-ethyl-1-(3-ethyltriazol-4-yl)-2-methoxy-3,3-dimethylbutan-1-amine?
N-ethyl-1-(3-ethyltriazol-4-yl)-2-methoxy-3,3-dimethylbutan-1-amine has a molecular weight of 254.38 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-ethyltriazol-4-yl)-2-methoxy-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 114213282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).