4-[3-(2,4-dimethylpentan-2-yl)triazol-4-yl]-N,2,4-trimethyl-N-propan-2-ylpentan-2-amine

C20H40N4 — CID 130267545

IUPAC4-[3-(2,4-dimethylpentan-2-yl)triazol-4-yl]-N,2,4-trimethyl-N-propan-2-ylpentan-2-amine
SMILESCC(C)CC(C)(C)n1nncc1C(C)(C)CC(C)(C)N(C)C(C)C
InChIInChI=1S/C20H40N4/c1-15(2)12-19(7,8)24-17(13-21-22-24)18(5,6)14-20(9,10)23(11)16(3)4/h13,15-16H,12,14H2,1-11H3
InChIKeyUVUHRKFUNOHRBV-UHFFFAOYSA-N
MW336.57 g/mol
LogP4.85
Rot. Bonds8

About 4-[3-(2,4-dimethylpentan-2-yl)triazol-4-yl]-N,2,4-trimethyl-N-propan-2-ylpentan-2-amine

4-[3-(2,4-dimethylpentan-2-yl)triazol-4-yl]-N,2,4-trimethyl-N-propan-2-ylpentan-2-amine (PubChem CID 130267545) has the molecular formula C20H40N4 and a molecular weight of 336.57 g/mol. Its IUPAC name is 4-[3-(2,4-dimethylpentan-2-yl)triazol-4-yl]-N,2,4-trimethyl-N-propan-2-ylpentan-2-amine.

Molecular Properties

Compound Name4-[3-(2,4-dimethylpentan-2-yl)triazol-4-yl]-N,2,4-trimethyl-N-propan-2-ylpentan-2-amine
PubChem CID130267545
Molecular FormulaC20H40N4
Molecular Weight336.57 g/mol
Exact Mass336.33
IUPAC Name4-[3-(2,4-dimethylpentan-2-yl)triazol-4-yl]-N,2,4-trimethyl-N-propan-2-ylpentan-2-amine
SMILESCC(C)CC(C)(C)n1nncc1C(C)(C)CC(C)(C)N(C)C(C)C
InChIInChI=1S/C20H40N4/c1-15(2)12-19(7,8)24-17(13-21-22-24)18(5,6)14-20(9,10)23(11)16(3)4/h13,15-16H,12,14H2,1-11H3
InChIKeyUVUHRKFUNOHRBV-UHFFFAOYSA-N
XLogP4.85
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.57
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,4-dimethylpentan-2-yl)triazol-4-yl]-N,2,4-trimethyl-N-propan-2-ylpentan-2-amine?
The IUPAC name of 4-[3-(2,4-dimethylpentan-2-yl)triazol-4-yl]-N,2,4-trimethyl-N-propan-2-ylpentan-2-amine (CID 130267545) is 4-[3-(2,4-dimethylpentan-2-yl)triazol-4-yl]-N,2,4-trimethyl-N-propan-2-ylpentan-2-amine.
What is the SMILES notation for 4-[3-(2,4-dimethylpentan-2-yl)triazol-4-yl]-N,2,4-trimethyl-N-propan-2-ylpentan-2-amine?
The canonical SMILES for 4-[3-(2,4-dimethylpentan-2-yl)triazol-4-yl]-N,2,4-trimethyl-N-propan-2-ylpentan-2-amine is CC(C)CC(C)(C)n1nncc1C(C)(C)CC(C)(C)N(C)C(C)C.
What is the InChIKey of 4-[3-(2,4-dimethylpentan-2-yl)triazol-4-yl]-N,2,4-trimethyl-N-propan-2-ylpentan-2-amine?
The InChIKey is UVUHRKFUNOHRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N4/c1-15(2)12-19(7,8)24-17(13-21-22-24)18(5,6)14-20(9,10)23(11)16(3)4/h13,15-16H,12,14H2,1-11H3.
What are the key properties of 4-[3-(2,4-dimethylpentan-2-yl)triazol-4-yl]-N,2,4-trimethyl-N-propan-2-ylpentan-2-amine?
4-[3-(2,4-dimethylpentan-2-yl)triazol-4-yl]-N,2,4-trimethyl-N-propan-2-ylpentan-2-amine has a molecular weight of 336.57 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,4-dimethylpentan-2-yl)triazol-4-yl]-N,2,4-trimethyl-N-propan-2-ylpentan-2-amine is sourced from PubChem (CID 130267545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).