5-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3,3-dimethylpentan-1-amine

C15H28N4 — CID 65285407

IUPAC5-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3,3-dimethylpentan-1-amine
SMILESCc1nnc(CCC(C)(C)CCN)n1C1CCCC1
InChIInChI=1S/C15H28N4/c1-12-17-18-14(8-9-15(2,3)10-11-16)19(12)13-6-4-5-7-13/h13H,4-11,16H2,1-3H3
InChIKeyAMIQYHNNJRVWEZ-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.01
Rot. Bonds6

About 5-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3,3-dimethylpentan-1-amine

5-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3,3-dimethylpentan-1-amine (PubChem CID 65285407) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 5-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3,3-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3,3-dimethylpentan-1-amine
PubChem CID65285407
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name5-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3,3-dimethylpentan-1-amine
SMILESCc1nnc(CCC(C)(C)CCN)n1C1CCCC1
InChIInChI=1S/C15H28N4/c1-12-17-18-14(8-9-15(2,3)10-11-16)19(12)13-6-4-5-7-13/h13H,4-11,16H2,1-3H3
InChIKeyAMIQYHNNJRVWEZ-UHFFFAOYSA-N
XLogP3.01
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3,3-dimethylpentan-1-amine?
The IUPAC name of 5-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3,3-dimethylpentan-1-amine (CID 65285407) is 5-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3,3-dimethylpentan-1-amine.
What is the SMILES notation for 5-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3,3-dimethylpentan-1-amine?
The canonical SMILES for 5-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3,3-dimethylpentan-1-amine is Cc1nnc(CCC(C)(C)CCN)n1C1CCCC1.
What is the InChIKey of 5-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3,3-dimethylpentan-1-amine?
The InChIKey is AMIQYHNNJRVWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-12-17-18-14(8-9-15(2,3)10-11-16)19(12)13-6-4-5-7-13/h13H,4-11,16H2,1-3H3.
What are the key properties of 5-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3,3-dimethylpentan-1-amine?
5-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3,3-dimethylpentan-1-amine has a molecular weight of 264.42 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3,3-dimethylpentan-1-amine is sourced from PubChem (CID 65285407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).