2-methyl-4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine

C11H22N4 — CID 82013503

IUPAC2-methyl-4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine
SMILESCc1nnc(CCC(C)CN)n1C(C)C
InChIInChI=1S/C11H22N4/c1-8(2)15-10(4)13-14-11(15)6-5-9(3)7-12/h8-9H,5-7,12H2,1-4H3
InChIKeyXUZMEKRNLHWCDX-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.69
Rot. Bonds5

About 2-methyl-4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine

2-methyl-4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine (PubChem CID 82013503) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-methyl-4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine
PubChem CID82013503
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name2-methyl-4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine
SMILESCc1nnc(CCC(C)CN)n1C(C)C
InChIInChI=1S/C11H22N4/c1-8(2)15-10(4)13-14-11(15)6-5-9(3)7-12/h8-9H,5-7,12H2,1-4H3
InChIKeyXUZMEKRNLHWCDX-UHFFFAOYSA-N
XLogP1.69
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine?
The IUPAC name of 2-methyl-4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine (CID 82013503) is 2-methyl-4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine.
What is the SMILES notation for 2-methyl-4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine?
The canonical SMILES for 2-methyl-4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine is Cc1nnc(CCC(C)CN)n1C(C)C.
What is the InChIKey of 2-methyl-4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine?
The InChIKey is XUZMEKRNLHWCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-8(2)15-10(4)13-14-11(15)6-5-9(3)7-12/h8-9H,5-7,12H2,1-4H3.
What are the key properties of 2-methyl-4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine?
2-methyl-4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine is sourced from PubChem (CID 82013503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).