N-tert-butyl-3-(3,5-diethyl-1,2,4-triazol-1-yl)-2-methylbutan-1-amine

C15H30N4 — CID 79408993

IUPACN-tert-butyl-3-(3,5-diethyl-1,2,4-triazol-1-yl)-2-methylbutan-1-amine
SMILESCCc1nc(CC)n(C(C)C(C)CNC(C)(C)C)n1
InChIInChI=1S/C15H30N4/c1-8-13-17-14(9-2)19(18-13)12(4)11(3)10-16-15(5,6)7/h11-12,16H,8-10H2,1-7H3
InChIKeyKOYBWJSHCMYYRI-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.99
Rot. Bonds6

About N-tert-butyl-3-(3,5-diethyl-1,2,4-triazol-1-yl)-2-methylbutan-1-amine

N-tert-butyl-3-(3,5-diethyl-1,2,4-triazol-1-yl)-2-methylbutan-1-amine (PubChem CID 79408993) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is N-tert-butyl-3-(3,5-diethyl-1,2,4-triazol-1-yl)-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(3,5-diethyl-1,2,4-triazol-1-yl)-2-methylbutan-1-amine
PubChem CID79408993
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC NameN-tert-butyl-3-(3,5-diethyl-1,2,4-triazol-1-yl)-2-methylbutan-1-amine
SMILESCCc1nc(CC)n(C(C)C(C)CNC(C)(C)C)n1
InChIInChI=1S/C15H30N4/c1-8-13-17-14(9-2)19(18-13)12(4)11(3)10-16-15(5,6)7/h11-12,16H,8-10H2,1-7H3
InChIKeyKOYBWJSHCMYYRI-UHFFFAOYSA-N
XLogP2.99
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(3,5-diethyl-1,2,4-triazol-1-yl)-2-methylbutan-1-amine?
The IUPAC name of N-tert-butyl-3-(3,5-diethyl-1,2,4-triazol-1-yl)-2-methylbutan-1-amine (CID 79408993) is N-tert-butyl-3-(3,5-diethyl-1,2,4-triazol-1-yl)-2-methylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-3-(3,5-diethyl-1,2,4-triazol-1-yl)-2-methylbutan-1-amine?
The canonical SMILES for N-tert-butyl-3-(3,5-diethyl-1,2,4-triazol-1-yl)-2-methylbutan-1-amine is CCc1nc(CC)n(C(C)C(C)CNC(C)(C)C)n1.
What is the InChIKey of N-tert-butyl-3-(3,5-diethyl-1,2,4-triazol-1-yl)-2-methylbutan-1-amine?
The InChIKey is KOYBWJSHCMYYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-8-13-17-14(9-2)19(18-13)12(4)11(3)10-16-15(5,6)7/h11-12,16H,8-10H2,1-7H3.
What are the key properties of N-tert-butyl-3-(3,5-diethyl-1,2,4-triazol-1-yl)-2-methylbutan-1-amine?
N-tert-butyl-3-(3,5-diethyl-1,2,4-triazol-1-yl)-2-methylbutan-1-amine has a molecular weight of 266.43 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(3,5-diethyl-1,2,4-triazol-1-yl)-2-methylbutan-1-amine is sourced from PubChem (CID 79408993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).