3-ethyl-1-(1,2,4-triazol-1-yl)heptan-1-amine

C11H22N4 — CID 66894881

IUPAC3-ethyl-1-(1,2,4-triazol-1-yl)heptan-1-amine
SMILESCCCCC(CC)CC(N)n1cncn1
InChIInChI=1S/C11H22N4/c1-3-5-6-10(4-2)7-11(12)15-9-13-8-14-15/h8-11H,3-7,12H2,1-2H3
InChIKeyVMGKPHGDUPSMDV-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.34
Rot. Bonds7

About 3-ethyl-1-(1,2,4-triazol-1-yl)heptan-1-amine

3-ethyl-1-(1,2,4-triazol-1-yl)heptan-1-amine (PubChem CID 66894881) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-ethyl-1-(1,2,4-triazol-1-yl)heptan-1-amine.

Molecular Properties

Compound Name3-ethyl-1-(1,2,4-triazol-1-yl)heptan-1-amine
PubChem CID66894881
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name3-ethyl-1-(1,2,4-triazol-1-yl)heptan-1-amine
SMILESCCCCC(CC)CC(N)n1cncn1
InChIInChI=1S/C11H22N4/c1-3-5-6-10(4-2)7-11(12)15-9-13-8-14-15/h8-11H,3-7,12H2,1-2H3
InChIKeyVMGKPHGDUPSMDV-UHFFFAOYSA-N
XLogP2.34
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(1,2,4-triazol-1-yl)heptan-1-amine?
The IUPAC name of 3-ethyl-1-(1,2,4-triazol-1-yl)heptan-1-amine (CID 66894881) is 3-ethyl-1-(1,2,4-triazol-1-yl)heptan-1-amine.
What is the SMILES notation for 3-ethyl-1-(1,2,4-triazol-1-yl)heptan-1-amine?
The canonical SMILES for 3-ethyl-1-(1,2,4-triazol-1-yl)heptan-1-amine is CCCCC(CC)CC(N)n1cncn1.
What is the InChIKey of 3-ethyl-1-(1,2,4-triazol-1-yl)heptan-1-amine?
The InChIKey is VMGKPHGDUPSMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-3-5-6-10(4-2)7-11(12)15-9-13-8-14-15/h8-11H,3-7,12H2,1-2H3.
What are the key properties of 3-ethyl-1-(1,2,4-triazol-1-yl)heptan-1-amine?
3-ethyl-1-(1,2,4-triazol-1-yl)heptan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(1,2,4-triazol-1-yl)heptan-1-amine is sourced from PubChem (CID 66894881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).